TY - JOUR
A1 - Kruschwitz, Sabine
A1 - Halisch, M.
A1 - Dlugosch, R.
A1 - Prinz, Carsten
T1 - Toward a better understanding of low-frequency electrical relaxation - An enhanced pore space characterization
N2 - Relaxation phenomena observed in the electrical low-frequency range (approximately 1 mHz-10 kHz) of natural porous media like sandstones is often assumed to be directly related to the dominant (modal) pore throat sizes measured, for instance, with mercury intrusion porosimetry. Attempts to establish a universally valid relationship between pore size and peak Spectral Induced Polarization (SIP) relaxation time have failed, considering sandstones from very different origins and featuring great variations in textural and chemical compositions as well as in geometrical pore space properties. In addition working with characteristic relaxation times determined in Cole-Cole or Debye decomposition fits to build the relationship have not been successful. In particular, samples with narrow pore throats are often characterized by long SIP relaxation times corresponding to long “characteristic length scales” in these media, assuming that the diffusion coefficients along the electrical double layer were constant. Based on these observations, three different types of SIP relaxation can be distinguished. We present a new way of assessing complex pore spaces of very different sandstones in a multi-methodical approach to combine the benefits of mercury intrusion porosimetry, micro-computed tomography, and nuclear magnetic resonance. In this way, we achieve much deeper insight into the pore space due to the different resolutions and sensitivities of the applied methods to both pore constrictions (throats) and wide pores (pore bodies). We experimentally quantify pore aspect ratios and volume distributions within the two pore regions. We clearly observe systematic differences between three SIP relaxation types identified previously and can attribute the SIP peak relaxation times to measured characteristic length scales within our materials. We highlight selected results for a total of nine sandstones. It seems that SIP relaxation behavior depends on the size difference of the narrow pore throats to the wide pore bodies, which increases from SIP Type 1 to Type 3.
KW - µ-CT
KW - Spectral induced polarization
KW - Nuclear magnetic resonance
KW - Pore space
PY - 2020
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-509763
DO - https://doi.org/10.1190/GEO2019-0074.1
SN - 0016-8033
VL - 85
IS - 4
SP - MR257
EP - MR270
PB - Society of Exploration Geophysicists
AN - OPUS4-50976
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Redda, Zinnabu T.
A1 - Brennecke, Daniel
A1 - Prinz, Carsten
A1 - Yimam, Abubeker
A1 - Barz, Mirko
A1 - Kadow, Steffen
A1 - Laß-Seyoum, Asnakech
T1 - Synthesis and characterization of AlPO4-18 supported mesoporous and crystalline β-Mo2C, Ni3C, and WC nanoparticles
N2 - Developing high-efficiency, high-stability, and low-cost deoxygenation and hydrocracking catalysts could be considered one of the most significant breakthroughs in catalytic hydroprocessing. The present study utilized aluminophosphate (AlPO4-18), a zeolite-like molecular sieve, as catalyst support for producing carbon-coated β-Mo2C, Ni3C, and WC nanoparticles. The synthesis used an incipient wetness impregnation followed by a temperature-programmed reduction-carburization approach which involved cracking a hydrocarbon gas, propane, in a hydrogen environment. The synthesis parameters were a 1:7 propane/hydrogen reductive-carburizing gas stream, 15 wt.% metal loading, an 800 °C carburization temperature ramped-up at a heating rate of 10 °C min−1, a 2-h holding time, and a 1-h holding time in hydrogen. The synthesized catalysts were characterized using thermogravimetry mass spectroscopy/temperature-programmed oxidation (TPO TG-MS), nitrogen physisorption at 77 K, X-ray diffraction (XRD), and transmission electron microscopy/energy-dispersive X-ray spectroscopy (TEM EDS). TPO TG-MS, nitrogen physisorption, TEM, and XRD characterization results proved that atomic carbon was successfully incorporated into the lattice interstitials, resulting in thermally stable, well-dispersed, crystalline and mesoporous β-Mo2C/AlPO4-18, Ni3C/AlPO4-18, and WC/AlPO4-18 nanoparticles. XRD analysis showed structural evolution during reduction-carburization, with average crystallite sizes of metal-containing particles of 8.2–9.22, 6.64–8.50, and 6.03–7.56 nm for β-Mo2C/AlPO4-18, Ni3C/AlPO4-18, and WC/AlPO4-18, respectively. These values did not significantly deviate from high-resolution TEM analysis. The surface areas of the nanoparticles were categorized in decreasing order as WC/AlPO4-18 > Ni3C/AlPO4-18 > β-Mo2C/AlPO4-18, with values of 193.79, 169.05, and 66.57 m2 g−1, respectively. In conclusion, these carbon-coated metal carbide nanoparticles with excellent thermal, structural, microscopic, and textural properties can be viable alternatives to noble metal catalysts for producing bio-jet fuel using the hydroprocessing pathway.
KW - Catalyst synthesis
KW - Temperature-programmed reduction-carburization
KW - Catalyst characterization
KW - BET surface area
KW - Nanoparticle
KW - Transition metal carbide catalyst
KW - TEM
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608182
DO - https://doi.org/10.1007/s10562-024-04791-y
SN - 1011-372X
SN - 1572-879X
VL - 154
SP - 5969
EP - 5988
PB - Springer Science and Business Media
CY - Dordrecht
AN - OPUS4-60818
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Hoogendoorn, Levi
A1 - Huertas, Mauricio
A1 - Nitz, Phillip
A1 - Qi, Naiyu
A1 - Baller, Johannes
A1 - Prinz, Carsten
A1 - Graeber, Gustav
T1 - Sustainable, Low‐Cost Sorbents Based on Calcium Chloride‐Loaded Polyacrylamide Hydrogels
N2 - AbstractSorbents are promising materials for applications in atmospheric water harvesting, thermal energy storage, and passive cooling, thereby addressing central challenges related to water scarcity and the global energy transition. Recently, hygroscopic hydrogel composites have emerged as high‐performance sorbents. However, many of these systems are fabricated with unsustainable and costly sorbent materials, which hinders their wide deployment. Here, the synthesis of high‐performance, cost‐efficient polyacrylamide hydrogels loaded with unprecedented amounts of calcium chloride is demonstrated. To this end, the swelling procedure of polyacrylamide hydrogels in aqueous calcium chloride solutions is optimized. The achievable salt loading in the hydrogel is characterized as a function of temperature, calcium chloride concentration in the swelling solution, and the hydrogel preparation conditions. The obtained hydrogel‐salt composites are shown to be stable under repeated sorption‐desorption cycling and enable water uptakes of 0.92 and 2.38 grams of water per gram of dry materials at 30% and 70% relative humidity, respectively. The resulting cost‐performance ratio substantially exceeds lithium chloride‐based systems. Further, the mechanistic insights on hydrogel salt interactions can guide the design of sustainable and low‐cost sorbent materials for future applications in water and energy.
KW - Electrochemistry
KW - Condensed Matter Physics
KW - Biomaterials
KW - Electronic, Optical and Magnetic Materials
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-598366
DO - https://doi.org/10.1002/adfm.202314680
SN - 1616-301X
SP - 1
EP - 10
PB - Wiley VHC-Verlag
AN - OPUS4-59836
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Pérez Blanes, H.
A1 - Ghiasi, P.
A1 - Sandkühler, J.
A1 - Yesilcicek, Yasemin
A1 - Pentzien, Simone
A1 - Conradi, Andrea
A1 - Prinz, Carsten
A1 - Al-Sabbagh, Dominik
A1 - Thünemann, Andreas
A1 - Özcan Sandikcioglu, Özlem
A1 - Witt, Julia
T1 - High CO2 reduction activity on AlCrCoCuFeNi multi-principal element alloy nanoparticle electrocatalysts prepared by means of pulsed laser ablation
N2 - Noble metal-free nanoparticles (NPs) based on multi-principal element alloys (MPEAs) were synthesized using a one-step pulsed laser ablation in liquids (PLALs) method for the electrochemical reduction of CO2. Laser ablation was performed in pure water or poly-(diallyldimethylammonium chloride) (PDADMAC)-containing an aqueous solution of Al8Cr17Co17Cu8Fe17Ni33 MPEA targets. Transmission electron microscopy (TEM) measurements combined with energy dispersive X-ray (EDX) mapping were used to characterize the structure and composition of the laser-generated MPEA nanoparticles (MPEA-NPs). These results confirmed the presence of a characteristic elemental distribution of a core-shell phase structure as the predominant NP species. The electrocatalytic performance of the laser-generated MPEA-NPs was characterized by linear sweep voltammetry (LSV) demonstrating an enhanced electrocatalytic CO2 activity for PDADMAC-stabilized NPs. The findings of these investigations indicate that MPEAs have great potential to replace conventional, expensive noble metal electrocatalysts.
KW - Multi-principal element alloys
KW - Chemically Complex Materials
KW - CCMat
KW - Electrocatalysis
KW - Carbon dioxide reduction
KW - Pulsed laser ablation
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594018
DO - https://doi.org/10.1016/j.jmrt.2023.05.143
VL - 24
SP - 9434
EP - 9440
PB - Elsevier BV
AN - OPUS4-59401
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Grimmer, Christoph
A1 - Richter, Matthias
A1 - Neuhaus, T.
A1 - Prinz, Carsten
A1 - Strzelczyk, Rebecca Skadi
A1 - Colakoglu, Irem
A1 - Horn, Wolfgang
T1 - Towards a multi-VOC emission reference material with temporally constant emission profile for QA/QC of materials emission testing procedures
N2 - Emission reference materials (ERMs) are sought after to further control and improve indoor air quality. The impregnation of porous materials with volatile organic compounds (VOCs) is a promising approach to produce ERMs. Different VOCs were used to impregnate various porous materials (mainly zeolites, activated carbons and a metal organic framework). The influence of different methodological parameters and material properties were studied to optimize the impregnation procedure and to find the best material/VOC combination. The impregnation procedure remains quite irreproducible, nevertheless, very good ERM candidates were identified. Two materials (zeolite 4 and AC 1 impregnated with n-hexadecane) showed a very stable emission over 14 days (<10 % change). Another material (AC 1 impregnated with toluene) showed a declining emission profile but with a very good in-batch reproducibility and a storage stability of up to 12 months.
KW - Emission reference material
KW - Porous materials
KW - Indoor air quality
KW - Emission test chamber
KW - CO2 assisted impregnation
KW - EN 16516
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-612238
DO - https://doi.org/10.1016/j.chemosphere.2024.143437
SN - 1879-1298
VL - 366
SP - 1
EP - 8
PB - Elsevier
AN - OPUS4-61223
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - GEN
A1 - Habibimarkani, Heydar
A1 - Prinz, Carsten
A1 - Sahre, Mario
A1 - Hodoroaba, Vasile-Dan
A1 - Radnik, Jörg
T1 - CV, TEM, XRD and XPS/HAXPES datasets of FeNi-based nanoparticles for the oxygen evolution reaction
N2 - The datasets from Cyclic Voltammetry, Transmision Electron Microscopy, X-ray Diffraction, and (Hard Energy) X-ray Photoelectron Spectroscopy are related to the publication
H. Habibimarkani, S.-L. Abram, A. Guilherme Buzanich, C. Prinz, M. Sahre, V.-D. Hodoroaba and J. Radnik
"In-depth analysis of FeNi-based nanoparticles for the oxygen evolution reaction"
Scientific Reports (2025), https://doi.org/10.1038/s41598-025-92720-3
Details of the materials and the experimental procedures are described in this publications.
KW - Oxygen evolution reaction
KW - Fe-Ni nanopartices
KW - Comprehensive analysis
PY - 2025
DO - https://doi.org/10.5281/zenodo.14975964
PB - Zenodo
CY - Geneva
AN - OPUS4-63335
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Thiodjio Sendja, Bridinette
A1 - Tchouank Tekou, Carol Trudel
A1 - Prinz, Carsten
A1 - de Oliveira Guilherme Buzanich, Ana
T1 - Adsorptive performance of single-walled carbon nanotubes for divalent manganese sorption characterized by X-ray absorption spectroscopy
N2 - The adsorptive performance of divalent manganese onto single-walled carbon nanotubes (SWCNTs) is investigated by X-ray absorption spectroscopy (XAS). The study is focused on the one hand, on the use of SWCNT as adsorbent to remove divalent manganese II) pollutant controlling batch parameters such as pH, adsorbent dose and contact time; and on the other hand, on the characterization of manganese adsorbed by SWCNT (Mn-SWCNT) adsorbent to probe the chemical composition, oxidation state, and local structural environment of Mn absorber. Freundlich adsorption isotherm well fitted the experimental data and suggested the maximum adsorption capacity at pH 2. Ion exchange was proposed as the main adsorption mechanism for removing manganese using SWCNT. XAS results revealed the change in the oxidation state of manganese. The effect of pH, adsorbent dose, and contact time is shown. XAS also showed that Mn-SWCNT material is principally composed of MnCl2, Mn2O3, MnO2, Mn3O4, and MnO in decreasing order with MnCl2 and Mn2O3 as major compounds.
KW - Local environment
KW - Single-walled carbon nanotubes
KW - Divalent manganese
KW - Adsorptive performance
KW - X-ray absorption spectroscopy
KW - Oxidation state
PY - 2025
DO - https://doi.org/10.1007/s11696-025-04418-5
SN - 0366-6352
SP - 1
EP - 15
PB - Springer Science and Business Media LLC
AN - OPUS4-64492
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Villajos Collado, José Antonio
A1 - Zimathies, Annett
A1 - Prinz, Carsten
T1 - A fast procedure for the estimation of the hydrogen storage capacity by cryoadsorption of metalorganic framework materials from their available porous properties
N2 - In order to identify the best porous materials for the cryogenic physisorption of hydrogen, high-throughput calculations are performed starting, i.e., from the collected information in crystallographic databases. However, these calculations, like molecular simulations, require specific training and significant computational cost. Herein, a relatively simple procedure is proposed to estimate and compare hydrogen uptakes at 77 K and pressure values from 40 bar starting from the porous properties of MOF materials, without involving simulation tools. This procedure uses definitions for adsorption and considers the adsorbed phase as an incompressible fluid whose pressure-density change is that for the liquid phase at 19 K. For the 7000 structures from the CoRE MOF database, the average error of the predictions is only of 1% from reference values at 100 bar, with an SD of ±8%. This accuracy is lower than that from simulation tools, but involving lower computational cost and training.
KW - Metal-organic frameworks
KW - MOF databases
KW - Hydrogen cryostorage
KW - Supercritical adsorption
KW - Absolute adsorption
KW - Uptake estimation
PY - 2021
DO - https://doi.org/10.1016/j.ijhydene.2020.10.265
SN - 0360-3199
VL - 46
SP - 29323
EP - 29331
PB - Elsevier
CY - Oxford
AN - OPUS4-53133
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Stuff, Maria
A1 - Rübner, Katrin
A1 - Prinz, Carsten
A1 - Rische, N.
A1 - Chronz, M.
A1 - Kühne, Hans-Carsten
ED - Siegesmund, S.
ED - Middendorf, B.
T1 - Towards a better understanding of tuff stone deterioration
N2 - Stone deterioration is the result of a complex interaction of external physical, chemical and biological forces with the mineralogical-petrophysical properties of the stone. With a better understanding of how these properties are linked to material behavior and durability, more effective measures for stone conservation can be developed. Studying these interactions in tuff is particularly complex due to the naturally high heterogeneity of tuff rocks.
The first aim of a current research project is to combine the results of recent and older studies on tuff deterioration. Furthermore, the literature overview is complemented by our own investigation of Weibern and Ettringen tuff, with a focus on pore structure characteristics.
T2 - STONE - 14th international congress on the deterioration and conservation of stone
CY - Meeting was canceled
DA - 07.09.2020
KW - Pore structure
KW - Weathering
KW - Weibern tuff
KW - Ettringen tuff
PY - 2020
SN - 978-3-96311-172-3
SP - 805
EP - 810
PB - Mitteldeutscher Verlag
CY - Halle (Saale)
AN - OPUS4-51549
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Hägele, Gerhard
A1 - de Sousa Amadeu, Nader
A1 - Augner, Sven
A1 - Widler, Leo
A1 - Janiak, Christoph
T1 - Symmetric geminal bisphosphinic acids RR´C[P(CH3)(O)OH]2 - NMR and analytical studies
N2 - Four bisphosphinic acids RR´C[P(CH3)(O)OH]2 are characterized by 1H, 13Cf1Hg, and 31P{1H} NMR data. H3C-P-C-P-CH3 skeletons give rise to [A3X]2 spin systems. Some algebraic equations are derived for manual analysis of [A3X]2 spectra. HR NMR data for heteroaromatic substituents R in RC(H)[P(CH3)(O)OH]2 are reported. Dissociation constants and ion-specific chemical shifts dP of CH3C(OH)[P(CH3)(O)OH]2 are determined by 31P{1H} NMR controlled titrations of 2a.
KW - Biphosphinic acid J-Coupling
KW - High resulution NMR
PY - 2020
DO - https://doi.org/10.1080/10426507.2020.1798444
VL - 195
IS - 12
SP - 1013
EP - 1026
PB - Taylor & Francis
AN - OPUS4-61861
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Habibimarkani, Heydar
A1 - Abram, Sarah-Luise
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Prinz, Carsten
A1 - Sahre, Mario
A1 - Hodoroaba, Vasile-Dan
A1 - Radnik, Jörg
T1 - In-depth analysis of FeNi-based nanoparticles for the oxygen evolution reaction
N2 - This study investigates the effect of varying iron-to-nickel ratios on the catalytic performance of Fe-Ni oxide nanoparticles (NPs) for the oxygen evolution reaction (OER). Addressing the issue of high energy wastage due to large overpotentials in OER, we synthesized and characterized different NP catalysts with different Fe: Ni oxide ratios. Transmission Electron Microscopy (TEM), Energy Dispersive X-ray Spectroscopy (EDS), and X-ray Diffraction (XRD) were employed to determine the morphology, elemental and phase composition of the NPs. Furthermore, in-depth profiling with X-ray Photoelectron Spectroscopy (XPS) and Hard X-ray Photoelectron Spectroscopy (HAXPES) revealed that iron predominantly exists as oxide, while nickel exhibits both metallic and oxidic forms depending on the Fe content. XPS indicated an enrichment of iron at the NP surface, whereas HAXPES and EDS data agreed on the bulk stoichiometry. The assessment of the catalytic activity via cyclic voltammetry (CV) showed that the Fe: Ni ratio of 2:3 exhibited superior performance, characterized by lower overpotential and a smaller Tafel slope.
KW - Fe-Ni oxide
KW - Nanoparticles
KW - OER
KW - Catalytic performance
KW - Cyclic voltammetry
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-626932
UR - https://www.nature.com/articles/s41598-025-92720-3
DO - https://doi.org/10.1038/s41598-025-92720-3
VL - 15
IS - 1
SP - 1
EP - 17
PB - Springer Nature
AN - OPUS4-62693
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Habibimarkani, Heydar
T1 - Comparative chemical analysis of Ni-Fe oxide nanoparticles
N2 - Ni-Fe oxide nanoparticles have gained a lot of interest because of their high activity in the oxygen evolution reaction (OER) which is crucial for water splitting. [1] Although there have been great efforts in the last years, the understanding of the synergistic effect between Fe and Ni is still under discussion.
Therefore, we prepared different Ni-Fe oxide nanoparticles with different compositions from pure iron oxide to pure nickel oxide adapting a known procedure. [2,3] Size and morphology of the nanoparticles depend on the composition which was shown with Transmission Electron Microscopy (TEM). The compositions of the nanoparticles were measured with a comparative approach using X-ray Photoelectron Spectroscopy (XPS), Hard X-ray Photoelectron Spectroscopy (HAXPES), and Energy Dispersive X-Ray Spectroscopy (EDS) coupled with the TEM providing detailed chemical information of the nanoparticles in different sample regions. EDS reveals that the different sample regions are dominated by one of the components, Fe or Ni, but a slight mixing between the components can be found (see Figure 1), which was confirmed with X-ray Diffraction (XRD). XPS indicates the enrichment of Fe at the sample surface, while HAXPES and EDS data agree on the stoichiometry of the bulk. High-resolution XPS and HAXPES exhibit some differences in the valence states of Fe and Ni, whereas Ni seems to be easier to reduce than Fe. Further investigations combining these different techniques and additionally Secondary Ion Mass Spectrometry (ToF-SIMS) are ongoing by using in situ approaches and coupling cyclic voltammetry to the analytical techniques
T2 - SALSA Make and Measure 2024: Interfaces
CY - Berlin, Germany
DA - 11.09.2024
KW - (Hard) X-ray Photoelectron Spectroscopy
KW - Oxygen evolution reaction
KW - Synergistic effects
KW - TEM
PY - 2024
AN - OPUS4-62346
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Sediqi, Salbin
T1 - Electrocatalytic carbon dioxide reduction on electrodeposited multi principal element alloy (MPEA) catalysts
N2 - The aim of this project is to develop novel noble metal free electrocatalysts that do not rely on critical minerals. We focus on Cu containing multi principal element alloys (MPEAs) improve the efficiency and selectivity of the CO 2 reduction reaction. In general, MPEAs consist of more than three elements that form solid solutions without intermetallic phases. The unique chemical composition and atomic level mixing introduces synergetic effects that play a critical role in electrocat alysis, especially in terms of selectivity. The nearly infinite combinations of elements that can be incorporated into MPEAs provide ample opportunities to tailor their functionality for various applications. This study presents the development of thin films based on CuNiZn MPEAs for CO 2 reduction reaction. The one step electrodeposition of CuNiZn gradient films was performed on carbon electrodes using a Hull cell under constant current or potential. The influence of pH, additives and current density or potential on the composition and mic rostructure of the films was characterized by scanning electron microscopy (SEM) and energy dispersive X ray spectroscopy (EDX). Atomic force microscopy (AFM) was used to study the topography and surface roughness of the CuNiZn films. The results indicate that the addition of ethylenediaminetetraacetic acid (EDTA) and citrate improves the uniformity and adhesion of the thin films. Electrochemical measurements, including cyclic voltammetry, linear sweep voltammetry, and impedance spectroscopy, were performed to investigate the electrocatalytic activity and corrosion resistance of CuNiZn thin films. The CuNiZn gradient films deposited in the Hull cell allow high throughput screening of the electrocatalytic activity. This approach has identified several compositions with high activity, selectivity and stability. Selected electrodeposited films were further processed to nanoparticles by means of pulsed laser ablation in liquids (PLAL). Further analysis thin film and nanoparticle electrocatalysts was performed with in line / at line product monitoring using a rotating disk electrode setup coupled to gas chromatography (GC) and high perform ance liquid chromatography (HPLC). The presentation will summarize the results of our screening study with few deep dives in selected compositions showing superior performance.
T2 - ECASIA 2024
CY - Gothenburg, Sweden
DA - 09.06.2024
KW - CCMat
KW - Energy conversion
KW - Electrodeposition
KW - Electrocatalysis
PY - 2024
AN - OPUS4-62632
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Sediqi, Salbin
T1 - Synthesis and characterization of multi-principal element alloys (MPEAs) for electrocatalysis applications
N2 - The aim of this project is the development of novel, noble metal-free electrocatalysts that do not rely on critical minerals. We focus on multi-principal element alloys (MPEAs), especially combinations involving Cu, to significantly enhance the efficiency of the CO2 reduction reaction. Generally, MPEAs consist of more than three elements, forming solid solutions without intermetallic phases. The unique disordered random structure introduces synergetic effects that play a critical role in electrocatalysis, particularly in terms of selectivity. The neraly-endless combinations of elements that can be incorporated in MPEAs offer ample opportunities to tailor its functionality for various applications.
This study presents the development of thin films based on NiZnCu MPEAs for the CO2 reduction reaction. The one-step electrodeposition of NiZnCu films was performed on Cu substrates in a single bath using a Hull cell under constant current or potential. The influence of pH, additives and current density or potential on the composition and microstructure of the films was characterized by scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDX). Atomic force microscopy (AFM) was used to study the topography and surface roughness of the NiZnCu films. The results indicate that the addition of ethylenediaminetetraacetic acid (EDTA) and citrate enhances the uniformity and adhesion of the thin films.
Electrochemical measurements, including cyclic voltammetry, linear sweep voltammetry and impedance spectroscopy were conducted to study the electrocatalytic activity and the corrosion resistance of NiZnCu thin films. The NiZnCu gradient films deposited in the Hull cell enable high-throughput screening of the electrocatalytic activity. With this approach, multiple compositions showing high activity, selectivity and stability were identified. Further analysis with in line / at line product analysis was performed using a rotating disc electrode setup coupled to gas chromotography (GC) and high-performance liquid chromotography (HPLC). The presentation will summarize the results of our screening study with few deep-dives in selected compositions showing superior performance.
T2 - eMRS 2024 Spring Meeting
CY - Strasbourg, France
DA - 27.05.2024
KW - CCMat
KW - Energy conversion
KW - Electrocatalysis
PY - 2024
AN - OPUS4-62633
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Kossatz, Philipp
T1 - Upconversion Nanoparticles for Luminescent Barcodes and as Reporters for Optical Sensors
N2 - Counterfeiting of goods has serious economic implications worldwide and can be a threat to human health and safety. Upconversion nanoparticles (UCNPs)are ideal candidates for optical encoding of various materials. Particles with tailor-made emission patterns can be used as anti-counterfeiting markers and luminophores in security inks and to track material flows. Microenvironment-specific changes in the emission properties of the UCNP tags can be used to study, signal, and sense changes of physico-chemical parameters in different environments, e.g., building
materials.
T2 - ANAKON 2023
CY - Vienna, Austria
DA - 11.04.2023
KW - Nanomaterials
KW - Anti-Counterfeiting
KW - Fluorescence Spectroscopy
PY - 2023
AN - OPUS4-59035
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Kossatz, Philipp
T1 - Lanthanide Nanocrystals as Authentication and Security Tags and Reporters for Optical Sensors
N2 - Counterfeiting of goods has serious economic implications worldwide and can present a considerable threat to human health and national security, rendering product authentication more and more important. This led to an increasing interest in simple tags for anticounterfeiting and authentication applications for the integration into different materials and matrices that are robust enough to survive the respective production processes and can be read out in-situ with simple instrumentation.
Here we present a platform of chemically inert, multi-color luminescent lanthanide nanocrystals (LnNC) consisting of a NaYF4 matrix doped with Yb, Er, Tm, or Ho as promising candidates for such applications.
LnNC with characteristic multi-color emission patterns, composed of narrow bands of varying intensity in the ultraviolet, visible, near-infrared, and short-wave were synthesized via a thermal decomposition approach under inert conditions[1]. The tailor-made design of different emission pattern was achieved by tuning particle size, material composition, and particle surface chemistry in upscaleable syntheses.[2] Particle size and morphology were determined by dynamic light scattering and transmission electron microscopy and the optical properties were characterized by absorption and fluorescence spectroscopy as well as fluorescence lifetime measurements.
The particles were then incorporated into security inks and consumer products. In addition, microenvironment-specific changes in the emission properties of the LnNC tag were utilized to study and sense changes of physico-chemical parameters in different matrices.
T2 - JCF Frühjahrssymposium 2023
CY - Gießen, Germany
DA - 21.03.2023
KW - Lanthanide Nanocrystals
KW - Anti-Counterfeiting
KW - Fluorescence Spectroscopy
PY - 2023
AN - OPUS4-59037
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Sander, Luise
T1 - Commercially Available Sodium-Ion Cells: Multi-Scale Analysis and Material Characterisation
N2 - As the first commercial sodium-ion-batteries (SIBs) are available for purchase, it is possible to investigate material composition. Gaining an insight into the material composition of these SIBs is of interest not only for the classification of possible safety risks and hazards, but also in regards to recycling. Herein we report the preliminary investigations of the chemical and structural composition of first commercial SIB-cells. Two different SIB-cells with different specification were compared regarding electrode size, thickness and further parameters. Furthermore, the composition of the active materials and electrolyte was investigated and compared.
T2 - Adlershofer Forschungsforum 2024
CY - Berlin, Germany
DA - 11.11.2024
KW - Sodium-Ion
KW - Multi-Scale Analysis
PY - 2024
AN - OPUS4-61757
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Sander, Luise
T1 - Multi-Scale Analysis of Commercially Available Sodium-Ion Cells
N2 - As the first commercial sodium-ion-batteries (SIBs) are available for purchase, it is possible to investigate material composition. Gaining an insight into the material composition of these SIBs is of interest not only for the classification of possible safety risks and hazards, but also in regards to recycling. Herein we report the preliminary investigations of the chemical and structural composition of first commercial SIB-cells. Two different SIB-cells with different specification were compared regarding electrode size, thickness and further parameters. Furthermore, the composition of the active materials and electrolyte was investigated and compared.
T2 - Solid State Ionics (SSI)
CY - London, United Kingdom
DA - 15.07.2024
KW - Sodium Ion-Cells
KW - Multi-Scale
PY - 2024
AN - OPUS4-60764
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Heinekamp, Christian
T1 - Structure analysis of dispersible SnO2 nanoparticlesStructure analysis of dispersible SnO2 nanoparticles
N2 - Previous work in the Dunne Group targeted dispersibility of metal oxide nanoparticles, which had been synthesised via an aqueous sol-gel route. Dispersibility was attained by solvothermal surface modification of the particles with trifluoro acetic acid (TFA). Part of the studies were tin oxide particles, which is known for its predominant rutile phase. Besides the dispersibility in acetone of the particles, an unexpected peak splitting of the (110) reflection was observed, which could be an unknown phase of SnO2 . For crystal growth long-term reaction studies on the tin oxide particles were performed. Interestingly these studies exhibited a time dependent extend of the peak splitting observed in XRD characterisation. Further extended analysis using multinuclear solid-state MAS-NMR spectroscopy indicate a size dependent structure change due to partial fluorination of the particles during the solvothermal treatment.
T2 - SALSA Make and Measure 2022
CY - Online meeting
DA - 07.09.2022
KW - SnO2
KW - Nanoparticles
PY - 2022
AN - OPUS4-57201
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Heinekamp, Christian
T1 - Dispersible SnO2 nanoparticles - a structural phenomenon
N2 - Previous work in the Dunne Group targeted dispersibility of metal oxide nanoparticles, which had been synthesised via an aqueous sol-gel route. Dispersibility was attained by solvothermal surface modification of the particles with trifluoro acetic acid.
Part of the studies were tin oxide particles, which is known for its predominant rutile phase.
Despite dispersibility in acetone of the particles unexpected peak splitting of the first (110) reflection was observed.
Intensive long-term reaction studies on the tin oxide particles exhibited a time dependent extend of the peak splitting observed in XRD character-isation. Extended characterisation using solid-state multinuclear MAS-NMR spectroscopy indicate size dependent structure change due to partial fluorination of the particles during the solvothermal treatment.
T2 - RSC Twitter Poster Conference 2022
CY - Online meeting
DA - 01.03.2022
KW - SnO2
KW - Nanoparticles
PY - 2022
AN - OPUS4-57225
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Redda, Zinnabu Tassew
A1 - Prinz, Carsten
A1 - Yimam, Abubeker
A1 - Barz, Mirko
A1 - Becker, Katharina
A1 - Gizaw, Desta Getachew
A1 - Laß-Seyoum, Asnakech
T1 - Structural and textural characterization of Brassica carinata biochar to investigate its potential industrial applications
N2 - Biochar, a low-cost, and carbon-rich product of the thermal decomposition of biomass under oxygen-limited conditions and at relatively low temperatures, has recently been identified as a promising porous material with a wide range of industrial applications. In the present study, a comprehensive analysis of proximate, ultimate, nutrient profile, structural, and textural properties of a biochar derived from two Ethiopian indigenous Brassica carinata cultivars was conducted. The characterization of the biochar was achieved by employing a variety of well-established methods, including proximate analysis (moisture, volatile matter, ash content, and fixed carbon), ultimate analysis (C, S, and O content), atomic oxygen to carbon ratio (O/C), morphological and elemental composition analysis through scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM-EDS). Furthermore, a combination of mercury intrusion porosimetry (MIP), dynamic vapor sorption (DVS), and gas adsorption methods such as nitrogen and krypton gas adsorption, were used for an in-depth study of the porous structure. SEM morphological characterization showed that the biochar surfaces showed multiple pores of diverse sizes and shapes. EDS elemental composition analysis revealed that sodium, aluminium, and silicon were not detected, but potassium, calcium, magnesium, and iron were all present in noticeable amounts. Furthermore, ultimate analysis showed that the most prevalent elements were carbon (86 wt.%) and oxygen (10.41‒9.77 wt.%), while sulphur was present in negligible concentrations. MIP analysis demonstrated that the porosities of the biochars varied from 62.68 to 69.99 wt.%, with the Holetta-1 biochar showing the highest porosity. The superior porosity of Holetta-1, as confirmed via MIP analysis, yielded higher values for bulk volume (2.36 mL g− 1), skeletal volume (1.65 mL g− 1), and total intrusion volume (1.65 mL g− 1) compared to the Yellow Dodolla. The most frequent pore diameters were 172.46 μm for Yellow Dodolla and 111.42 μm for Holetta-1. The MIP log differential pore diameter distributions were observed to vary from 18 to 411 μm and 10 to 411 μm, respectively, for Yellow Dodolla and Holetta-1. Despite the biochars’ low specific surface areas (0.17–0.21 m² g⁻¹), krypton sorption was a suitable technique for its characterization compared to DVS and nitrogen sorption methods. In conclusion, the characterization studies confirmed that this carbon-rich porous material possesses unique and valuable properties, with these attributes position it as a promising alternative for diverse industrial applications, contributing to the development of a bio-based circular economy.
KW - Morphological characterization
KW - Mercury intrusion porosimetry
KW - Gas adsorption
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-655325
DO - https://doi.org/10.1038/s41598-025-32063-1
SN - 2045-2322
VL - 16
IS - 1
SP - 1
EP - 19
PB - Springer Science and Business Media LLC
AN - OPUS4-65532
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Lisec, Jan
A1 - Recknagel, Sebastian
A1 - Prinz, Carsten
A1 - Vogel, Kristin
A1 - Koch, Matthias
A1 - Becker, Roland
T1 - eCerto—versatile software for interlaboratory data evaluation and documentation during reference material production
N2 - The statistical tool eCerto was developed for the evaluation of measurement data to assign property values and associated uncertainties of reference materials. The analysis is based on collaborative studies of expert laboratories and was implemented using the R software environment. Emphasis was put on comparability of eCerto with SoftCRM, a statistical tool based on the certification strategy of the former Community Bureau of Reference. Additionally, special attention was directed towards easy usability from data collection through processing, archiving, and reporting. While the effects of outlier removal can be flexibly explored, eCerto always retains the original data set and any manipulation such as outlier removal is (graphically and tabularly) documented adequately in the report. As a major reference materials producer, the Bundesanstalt für Materialforschung und -prüfung (BAM) developed and will maintain a tool to meet the needs of modern data processing, documentation requirements, and emerging fields of RM activity. The main features of eCerto are discussed using previously certified reference materials.
KW - Reference material
KW - Statistics
KW - Software
KW - Collaborative trial
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-591851
DO - https://doi.org/10.1007/s00216-023-05099-3
SP - 1
EP - 9
PB - Springer Science and Business Media LLC
AN - OPUS4-59185
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Bugel, S.
A1 - Hahnel, M.
A1 - Kunde, T.
A1 - de Sousa Amadeu, Nader
A1 - Sun, Y.
A1 - Spieß, A.
A1 - Beglau, T. H. Y.
A1 - Janiak, C.
A1 - Schmidt, B. M.
T1 - Synthesis and Characterization of a Crystalline Imine-Based Covalent Organic Framework with Triazine Node and Biphenyl Linker and Its Fluorinated Derivate for CO2/CH4 Separation
N2 - A catalyst-free Schiff base reaction was applied to synthesize two imine-linked covalent organic frameworks (COFs). The condensation reaction of 1,3,5-tris-(4-aminophenyl)triazine (TAPT) with 4,4′-biphenyldicarboxaldehyde led to the structure of HHU-COF-1 (HHU = Heinrich-Heine University). The fluorinated analog HHU-COF-2 was obtained with 2,2′,3,3′,5,5′,6,6′-octafluoro-4,4′-biphenyldicarboxaldehyde. Solid-state NMR, infrared spectroscopy, X-ray photoelectron spectroscopy, and elemental analysis confirmed the successful formation of the two network structures. The crystalline materials are characterized by high Brunauer–Emmett–Teller surface areas of 2352 m2/g for HHU-COF-1 and 1356 m2/g for HHU-COF-2. The products of a larger-scale synthesis were applied to prepare mixed-matrix membranes (MMMs) with the polymer Matrimid. CO2/CH4 permeation tests revealed a moderate increase in CO2 permeability at constant selectivity for HHU-COF-1 as a dispersed phase, whereas application of the fluorinated COF led to a CO2/CH4 selectivity increase from 42 for the pure Matrimid membrane to 51 for 8 wt% of HHU-COF-2 and a permeability increase from 6.8 to 13.0 Barrer for the 24 wt% MMM.
KW - MOF
KW - Filter
PY - 2022
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-547632
DO - https://doi.org/10.3390/ma15082807
SN - 1996-1944
VL - 15
IS - 8
SP - 1
EP - 18
PB - MDPI
AN - OPUS4-54763
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Kossatz, Philipp
T1 - Upconversion Nanoparticles as Luminescent Probes for Cement
N2 - Safety is a key parameter for the design and construction of buildings. The most widely used construction material to date is concrete that consists of about 15-20 wt.-% cement, which is responsible for the main concrete properties, i.e., strength and durability. Despite many standards regulating the quality of cement, at present, there exists no viable method to track the cement life cycle “from cradle to grave”. This led to an increasing interest in simple and robust methods for studying the processes and changes occurring during the life cycle of cement. In this context, we explored the applicability of fluorescence measurements which can be performed with relatively inexpensive and miniaturized instrumentation yet require robust optical probes which survive the harsh cement environment. Therefore, we developed a platform of lanthanide-based upconversion nanoparticles (UCNPs), consisting of a NaYF4 matrix doped with Yb3+ and Er3+ with sizes between 20 nm and 55 nm, which show characteristic multi-color emission patterns, composed of narrow bands of varying intensity in the ultraviolet, visible, near-infrared, and short-wave spectral region and examined their potential for cement probing and the non-invasive monitoring of the hydration processes occurring during cement formation.
UCNPs of different size and chemical composition were synthesized via a thermal decomposition approach under inert conditions. The tailor-made design of different emission patterns was achieved by tuning particle size and morphology, material composition, and particle surface chemistry in upscaleable syntheses. For cement probing, different types of UCNPs were added to cement and the evolution of the UCNP emission pattern was used to probe in-situ changes of physico-chemical parameters in the cementitious environment during hydration, utilizing a simple and portable custom-designed optical setup. The observed changes in the UCNP emission patterns are characteristic for a given particle size, surface chemistry, and cement composition. In addition to fluorescence measurements, conventional isothermal heat flow calorimetry was used to study the influence of UCNP addition on cement hydration kinetics. Subsequently, both sets of measurements were correlated. Our results underline the potential of our optical approach ad UCNPs for the non-invasive probing of cementitious systems and cement hydration. This can be also exploited for cutting-edge applications of construction materials such as 3D concrete printing.
T2 - Summer School Exciting Nanostructures
CY - Bad Honnef, Germany
DA - 31.07.2023
KW - Cement Hydration
KW - Upconversion
KW - Fluorescence Spectroscopy
PY - 2023
AN - OPUS4-58203
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Menga, D.
A1 - Low, Jian Liang
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Paulus, B.
A1 - Fellinger, Tim-Patrick
T1 - The Tetrapyrollic Motif in Nitrogen Doped Carbons and M-N-C Electrocatalysts as Active Site in the Outer-Sphere Mechanism of the Alkaline Oxygen Reduction Reaction
N2 - Development and fundamental understanding of precious-group-metal-free electrocatalysts is hampered by limitations in the quantification of the intrinsic activity of different catalytic sites and understanding the different reaction mechanisms. Comparing isomorphic nitrogen-doped carbons, Zn-N-Cs and Fe-N-Cs with the common tetrapyrrolic motif, a catalyst-independent outer-sphere rate-determining step in the alkaline oxygen reduction reaction is observed. Density functional theory (DFT) simulations on tetrapyrrolic model structures indicate the highest occupied molecular orbital (HOMO) level as a good descriptor for the catalytic activity. Contour plots suggest that the electron transfer occurs directly from the tetrapyrrolic coordination site, rather than from the metal center. Metal-free tetrapyrrolic N4 sites are discovered to be highly active oxygen reduction reaction (ORR) active sites in alkaline that reach turnover frequencies (TOF) of 0.33 and 1.84 s−1 at 0.80 and 0.75 VRHE in the order of magnitude of tetrapyrrolic Fe–N4 sites in the acidic ORR. While Zn-coordination lowers the HOMO level and therefore the catalytic activity, Fe-coordination lifts the HOMO level resulting in TOF values of 0.4 and 4 s−1 for tetrapyrrolic Fe–N4 sites at 0.90 and 0.85 VRHE, respectively. At higher mass activities, the peroxide reduction becomes rate-limiting, where highest peroxide production rates are observed for the nitrogen-doped carbon.
KW - Tetrapyrollic
KW - Motif
KW - Nitrogen
KW - Carbons
KW - Alkaline Oxygen
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-606239
DO - https://doi.org/https://doi.org/10.1002/aenm.202400482
SN - 1614-6832
VL - 2024
SP - 1
EP - 8
PB - Wiley-VCH
AN - OPUS4-60623
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Chen, Cong
A1 - Müller, Bernd R.
A1 - Prinz, Carsten
A1 - Stroh, Julia
A1 - Feldmann, Ines
A1 - Bruno, Giovanni
T1 - The correlation between porosity characteristics and the crystallographic texture in extruded stabilized aluminium titanate for diesel particulate filter applications
N2 - Porous ceramic diesel particulate filters (DPFs) are extruded products that possess macroscopic anisotropic mechanical and thermal properties. This anisotropy is caused by both morphological features (mostly the orientation of porosity) and crystallographic texture. We systematically studied those two aspects in two aluminum titanate ceramic materials of different porosity using mercury porosimetry, gas adsorption, electron microscopy, X-ray diffraction, and X-ray refraction radiography. We found that a lower porosity content implies a larger isotropy of both the crystal texture and the porosity orientation. We also found that, analogous to cordierite, crystallites do align with their axis of negative thermal expansion along the extrusion direction. However, unlike what found for cordierite, the aluminium titanate crystallite form is such that a more pronounced (0 0 2) texture along the extrusion direction implies porosity aligned perpendicular to it.
KW - Preferred orientation
KW - X-ray refraction
KW - Pore orientation
KW - Crystal structure
KW - Extrusion
KW - Microstructure-property relations
PY - 2020
DO - https://doi.org/10.1016/j.jeurceramsoc.2019.11.076
SN - 0955-2219
VL - 40
IS - 4
SP - 1592
EP - 1601
PB - Elsevier Ltd.
AN - OPUS4-50325
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Heinekamp, Christian
T1 - EXAFS elucidating local structure of zirconium based aorphous heterogeneous catalysts in C-F bond activation
N2 - Amorphous materials play an important role in C-F bond activation but face the difficulty of limited available structural information by methods such as powder XRD and solid-state MAS NMR spectroscopy especially if the nucleus is not abundant enough. Here, we present heterogeneous catalysts, active in C-F bond activation, where EXAFS allowed specifically elucidating the local structure, which would have not been possible elsewise.
T2 - HZB User Meeing 2023
CY - Berlin, Germany
DA - 22.06.2023
KW - Catalysis
KW - Zirconium
KW - C-F bond activation
PY - 2023
AN - OPUS4-59615
LA - deu
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Heinekamp, Christian
T1 - An Amorphous Lewis-acidic Zirconium Chloro Fluoride as HF Shuttle: C-F Bond Activation and Formation
N2 - In this work, we successfully synthesized amorphous zirconium chloro fluoride (ZCF), which exhibits medium lewis acidity. In addition to investigating the local coordination sphere around the Zr atoms and the material properties, we were able to establish a catalytic behavior of ZCF in C-F bond activation reactions. We present a heterogeneous catalyst that performs dehydrofluorination of a fluoroalkane and consecutive hydrofluorination of an alkyne at room temperature.
T2 - 23rd International Symposium on Fluorine Chemistry
CY - Quebec City, Canada
DA - 23.07.2023
KW - ZCF
KW - Heterogeneous catalysis
KW - C-F bond activation
PY - 2023
AN - OPUS4-58053
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Sander, Luise
T1 - Comparison of Commercially Available SIBs: Linking Material and Electrode Properties to Cell Performance
N2 - As the first commercial sodium-ion-batteries (SIBs) are available for purchase, it is possible to investigate material composition. Gaining an insight into the material composition of these SIBs is of interest not only for the classification of possible safety risks and hazards, but also in regards to recycling. Herein we report the preliminary investigations of the chemical and structural composition of first commercial SIB-cells. Two different SIB-cell types were compared in terms of electrode size, thickness, loading etc. Furthermore, the composition of the active materials and electrolyte was investigated and compared. Finally, the gained results were linked to the different data sheet performance of the two cell types.
T2 - Batterieforum 2025
CY - Berlin, Germany
DA - 21.01.2025
KW - Battery
KW - Sodium-Ion-Battery
KW - Electrochemical Energy Storage
KW - Energy Storage
PY - 2025
AN - OPUS4-62921
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Heuser, Lina
T1 - Silver diffusion in low-melting alkali zinc borate model glasses studied by means of SNMS, TEM and XAS
N2 - In many late-breaking research fields as in photovoltaics, microelectronics, nuclear waste glasses or at least mirror glasses silver diffusion in glasses is relevant to the issues of high-level functionality and recycling. The present study is focused on silver diffusion in innovative, low-melting alkali zinc borate glasses (X2O-ZnO-B2O3, X = Li, Na, K, Rb) potentially usable for silver metallization-pastes in solar cells. The glasses were coated with a thin metallic silver layer and heat treatments in air and nitrogen close to Tg at 470 °C for 2 h were performed. After heat treatment under air and nitrogen atmospheres the coating thickness, measured by a white light interferometer, was about 1.8 µm thick. Silver depth profiles determined by means of secondary neutral mass spectrometry (SNMS) indicate the fastest silver diffusion to a depth of 3.5 µm for Li2O-ZnO-B2O3 (LZB) glass. Nevertheless, the influence of the different alkali ions on the silver diffusion is small. The oxygen availability determines the silver diffusion into the glasses. The oxygen promotes the oxidation of the silver layer enabling Ag+ to diffuse into the glass and to precipitate as Ag0. Both species were detected by x-ray absorption spectroscopy (XAS). The precipitated metallic silver particles in Na2O-ZnO-B2O3 (NZB) glass have a mean size of 5.9 nm ± 1.2 nm diameter, which was determined using transmission electron microscopy (TEM). Phase separation in zinc-rich and zinc-poor phases with a mean diameter of 75 nm ± 20 nm occurred in NZB glass after heat treatment. Ion diffusion of the glasses into the silver layer was suggested by EDX-line scans.
T2 - 94. Glastechnische Tagung
CY - Online meeting
DA - 10.05.2021
KW - Silver diffusion
KW - Alkali zinc borate glass
KW - Metallic silver precipitates
KW - Phase separation
PY - 2021
AN - OPUS4-52861
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Recknagel, Sebastian
A1 - Richter, Silke
A1 - Hoppe, Marion
A1 - Meckelburg, Angela
A1 - Prinz, Carsten
A1 - Roik, Janina
A1 - Abad Andrade, Carlos Enrique
T1 - Powering precision: development of a certified reference material for elemental composition analysis of lithium nickel manganese cobalt oxide (Li-NMC) cathode material for lithium-ion batteries
N2 - This work presents the development and certification of the world’s first certified reference material (CRM), BAM-S014, for a lithium nickel manganese cobalt oxide (LiNi0.33Mn0.33Co0.33O2 or Li-NMC 111) cathode material—an integral component in high-energy-density lithium-ion batteries that power electric vehicles (EVs), portable electronics, and stationary energy storage systems. By providing certified mass fractions for 11 elements, this CRM addresses a critical need for accurate and traceable elemental analysis, supporting quality control and regulatory compliance in the global battery industry. Ensuring reliable and harmonized measurements supports the efficient use of resources, including the reuse of recycled materials, and ultimately helps maintain product performance and safety. The values were assigned through an interlaboratory comparison involving 16 participating laboratories and various analytical techniques such as inductively coupled plasma optical emission spectrometry (ICP-OES), inductively coupled plasma mass spectrometry (ICP-MS), X-ray fluorescence (XRF) spectrometry, and combustion analysis. In addition to chemical characterization, the certification process includes homogeneity and stability testing of the candidate material. Details are provided on the analytical methods used for chemical characterization and the calculation of the uncertainties of the certified mass fractions. In addition to detailing the development of the CRMs, this work provides an overview of ongoing standardization activities in Li-component analysis, thereby guiding the calibration of analytical methods and contributing to the establishment of globally accepted standards for evaluating energy storage materials and advancing sustainable mobility and clean energy solutions.
KW - Certified reference material
KW - Lithium nickel manganese cobalt oxide
KW - LNMC
KW - Lithium-ion battery
KW - Cathode material
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-643763
DO - https://doi.org/10.1007/s00216-025-05766-7
SN - 1618-2642
VL - 417
IS - 12
SP - 2643
EP - 2653
PB - Springer Nature
AN - OPUS4-64376
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Mohabbat, Abdulrahman
A1 - Boldog, István
A1 - Reistel, Nils
A1 - de Sousa Amadeu, Nader
A1 - Möllmer, Jens
A1 - Lange, Marcus
A1 - Limon, Aysenur
A1 - Seiffert, Philipp
A1 - Michalski, Julia
A1 - Janiak, Christoph
T1 - P4O10-mediated synthesis of polar polyphosphoric acid-covalent triazine framework composites from aromatic amides for improved water and SO2 sorption
N2 - Polycondensation of various aromatic amides in P4O10 at 400 8C yields covalent triazine frameworks intergrown with a polyphosphoric acid framework (POF-CTFs). Compared to ionothermal analogs, they feature a shorter reaction time and strongly increased framework polarity for water and SO2 uptake, and SO2/CO2
selectivity
KW - COF
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-644208
DO - https://doi.org/10.1039/d5cc03419a
SN - 1359-7345
SP - 1
EP - 4
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-64420
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radnik, Jörg
T1 - Comparative chemical analysis of Ni-Fe oxide nanoparticles
N2 - Ni-Fe oxide nanoparticles have gained a lot of interest because of their high activity in the oxygen evolution reaction (OER) which is crucial for water splitting. [1] Although there have been great efforts in the last years, the understanding of the synergistic effect between Fe and Ni is still under discussion.
Therefore, we prepared different Ni-Fe oxide nanoparticles with different compositions from pure iron oxide to pure nickel oxide adapting a known procedure. [2,3] Size and morphology of the nanoparticles depend on the composition which was shown with Transmission Electron Microscopy (TEM). The compositions of the nanoparticles were measured with a comparative approach using X-ray Photoelectron Spectroscopy (XPS), Hard X-ray Photoelectron Spectroscopy (HAXPES), and Energy Dispersive X-Ray Spectroscopy (EDS) coupled with the TEM providing detailed chemical information of the nanoparticles in different sample regions. EDS reveals that the different sample regions are dominated by one of the components, Fe or Ni, but a slight mixing between the components can be found (see Figure 1), which was confirmed with X-ray Diffraction (XRD). XPS indicates the enrichment of Fe at the sample surface, while HAXPES and EDS data agree on the stoichiometry of the bulk. High-resolution XPS and HAXPES exhibit some differences in the valence states of Fe and Ni, whereas Ni seems to be easier to reduce than Fe. Further investigations combining these different techniques and additionally Secondary Ion Mass Spectrometry (ToF-SIMS) are ongoing by using in situ approaches and coupling cyclic voltammetry to the analytical techniques.
T2 - ECASIA 2024
CY - Gothenburg, Sweden
DA - 09.06.2024
KW - Oxygen evolution reaction
KW - Transmission Electron Microscopy
KW - (Hard) X-ray Photoelectron Spectroscopy
KW - Synergistic effects
PY - 2024
AN - OPUS4-60534
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Valentim Gelamo, Rogério
A1 - Bueno Leite, Natália
A1 - de Sousa Amadeu, Nader
A1 - Reis Pedreira Muniz Tavares, Michel
A1 - Oberschmidt, Dirk
A1 - Klemm, Sophie
A1 - Fleck, Claudia
A1 - Cakir, Cafer-Tufan
A1 - Radtke, Martin
A1 - Aparecido Moreto, Jéferson
T1 - Exploring the Nb2O5 coating deposited on the Ti-6Al-4V alloy by a novel GE-XANES technique and nanoindentation load-depth
N2 - This research group has been demonstrating the significant advantages of using Nb2O5 coatings for functionalizing titanium, aluminium, and stainless steels. Regarding the biomedical sector and considering Ti-6Al-4V alloy, the reactive sputtering technique improved the cell viability, the osteogenic performance of cells involved in the osseointegration process as well as the ability to delay bacterial proliferation. The characteristics of the Nb2O5 coatings were assessed before by using standard methods, which provide information only a few tens of nanometers depth. Given that the Nb2O5 coating fabricated in this work exhibits a thickness of approximately 300 nm, the GE-XANES technique emerges as the most suitable method for this analysis. Additional information was provided with the aid of nanoindentation load-depth (P-h) curves. GE-XANES results indicated the formation of a homogeneous layer of Nb2O5 coating on the Ti-6Al-4V surfaces. The deposition process improved the surface hardness of the Ti-6Al-4V alloy (4.38 GPa versus 5.62 GPa) considering the 2 mN load.
KW - BAMline
KW - GE-XANES
KW - Synchrotron
PY - 2024
DO - https://doi.org/10.1016/j.matlet.2023.135584
SN - 0167-577X
VL - 355
SP - 1
EP - 4
PB - Elsevier B.V.
AN - OPUS4-60835
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Wachsmann, Sebastian B.
A1 - Ruf, Matthias
A1 - Prinz, Carsten
A1 - Oehlsen, Nina
A1 - Zhou, Xiaoru
A1 - Dyballa, Michael
A1 - Arweiler, Christine
A1 - Leistner, Philip
A1 - Steeb, Holger
A1 - Garrecht, Harald
A1 - Laschat, Sabine
A1 - Stegbauer, Linus
T1 - Chitin/Chitosan Biocomposite Foams with Chitins from Different Organisms for Sound Absorption
N2 - Foams are widely used for applications in construction, energy absorption, and building insulation. We developed sustainable chitin/chitosan-based foams derived from snow crab and Aspergillus niger (α-chitin) and from squid (β-chitin), which were obtained via a “shake and bake” process. The foam structure, mechanical, thermophysical, sound absorption, and flammability properties were studied. Stable foams were obtained from snow crab and squid chitin, whereas A.niger-based foams were inhomogeneous. Foams derived from the former biomass sources displayed densities of 0.07−0.30 g/cm3 and bulk porosities of 78−94% with only a minimal number of closed pores. According to mercury porosimetry (MP) and X-ray computed microtomography (μXRCT), pore sizes ranged from 3 μm to 1.5 mm, with the majority of pores being larger than 400 μm. In mechanical compression tests, β-chitin-based foams showed higher specific compressive strength and modulus (up to 0.1 * = 9.00 MPa/E* = 107.37 MPa) compared to the α-chitin-based series. Dynamic vapor sorption (DVS) measurements revealed that the β-chitin (from squid) series overall took up more water vapor (≤40 wt %) than the α-chitin (from snow crab) series (≤33 wt %). Flammability tests showed that the developed foams were suitable for fire protection class E, superior to common polyurethane (PU) foams, and sound absorption tests showed promising results for applications only little influenced by humidity.
KW - Chitin
KW - Foam
KW - Biocomposite
KW - Sound absorption
KW - Flammability
KW - Mercury porosimetry
KW - Dynamic vapor sorption
PY - 2024
DO - https://doi.org/10.1021/acssuschemeng.4c00044
VL - 12
IS - 32
SP - 11879
EP - 11890
PB - American Chemical Society (ACS)
AN - OPUS4-60819
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Resch-Genger, Ute
T1 - Influence of Surface Chemistry and Size on the Stability of β-NaYF4:Yb,Er Nanocrystals in Various Environments
N2 - The use of inorganic lanthanide-doped upconversion nanoparticles (UCNP) in bioimaging and cellular studies requires biocompatible particles. One possible cause of UCNP toxicity is the release of potentially harmful fluoride and lanthanide ions as revealed by dilution studies in aqueous environments, particularly under high dilution conditions. To address this issue, suitable surface coatings preventing such effects in combination with fast screening methods suited for online monitoring and in situ analyses are desired.
Here we present systematic studies of differently sized β-NaYF4:Yb,Er UCNP stabilized with different surface coatings and hydrophilic ligands varying in binding strength to the particle surface in various aqueous environments at different temperatures and UCNP concentrations. The concentration of the fluoride and lanthanide ions released upon particle dissolution was quantified electrochemically with a fluoride ion-sensitive electrode and inductively coupled plasma optical emission spectrometry (ICP-OES) and monitored fluorometrically, thereby exploiting the sensitivity of the upconversion luminescence to changes in size and surface chemistry. Moreover, changes in surface chemistry were determined with X-Ray photoelectron spectroscopy (XPS). Based upon our results, we could derive optimum screening parameters for UCNP stability studies and determine conditions and coating procedures and ligands for enhancing UCNP stability in aqueous environments.
T2 - UPCON2021
CY - Online meeting
DA - 06.04.2021
KW - Fluorescence
KW - Lifetime
KW - Method
KW - Quantification
KW - Stability
KW - Coating
KW - Surface chemistry
KW - Lanthanide
KW - Fluoride
KW - Electrochemistry
KW - ICP-OES
KW - Upconversion
KW - Nano
KW - Particle
KW - Aging
KW - Quality assurance
KW - Mass spectrometry
KW - XPS
PY - 2021
AN - OPUS4-52411
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Abram, Sarah-Luise
T1 - Monodisperse iron oxide nanoparticles as reference material candidate for particle size measurements
N2 - In order to utilize and rationally design materials at the nanoscale the reliable characterization of their physico-chemical properties is highly important, especially with respect to the assessment of their environmental or biological impact. Furthermore, the European Commission’s REACH Regulations require the registration of nanomaterials traded in quantities of at least 1 ton. Powders or dispersions where 50% (number distribution) of the constituent particles have sizes ≤ 100 nm in at least one dimension are defined as nanomaterials. This creates a need for industrial manufacturers and research or analytical service facilities to reliably characterize potential nanomaterials. Currently, BAM is developing reference nanoparticles, which shall expand the scarce list of worldwide available nano reference materials certified for particle size distribution and will also target other key parameters like shape, structure, porosity or functional properties. In this respect, materials like iron oxide or titanium dioxide are considered as candidates to complement the already available silica, Au, Ag, and polystyrene reference nanoparticles.
The thermal decomposition of iron oleate precursors in high boiling organic solvents can provide large quantities of iron oxide nanoparticles that can be varied in size and shape.[1, 2] The presence of oleic acid or other hydrophobic ligands as capping agents ensures stable dispersion in nonpolar solvents. Such monodisperse, spherical particles were synthesized at BAM and pre-characterized by electron microscopy (TEM, SEM including the transmission mode STEM-in-SEM) and dynamic light scattering comparing cumulants analysis and frequency power spectrum.
1. REACH regulations and nanosafety concerns create a strong need for nano reference materials with diverse properties.
2. Iron oxide nanoparticles are under development as new candidate reference material at BAM.
3. Narrow particle size distribution confirmed by light scattering and electron microscopy.
T2 - Nanosafety 2020
CY - Online meeting
DA - 05.10.2020
KW - Iron oxide nanoparticles
KW - Reference material
KW - Particle size
KW - Electron microscopy
KW - Nanoplattform
PY - 2020
AN - OPUS4-52774
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Abram, Sarah-Luise
T1 - Iron oxide nanoparticles as a reference material candidate for particle size measurements
N2 - This poster presentation covers the development of iron oxide nanoparticles as reference material candidate in the context of the project "Nanoplattform".
T2 - EMRS Spring Meeting
CY - Online meeting
DA - 31.05.2021
KW - Iron oxide nanoparticles
KW - Reference material
KW - Particle size
KW - Transmission electron microscopy
KW - Small angle x-ray scattering
PY - 2021
AN - OPUS4-52773
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Cancella, Erick Paiva
A1 - de Paula Guarnieri, Guilherme
A1 - de Sousa Amadeu, Nader
A1 - Radtke, Martin
A1 - Garcia, Rodrigo Henrique
A1 - de Azevedo, Eduardo Ribeiro
A1 - Cosentino, Ivana Conte
A1 - Mascarenhas, Yvonne Primerano
A1 - Nery, José Geraldo
T1 - Synthesis and physicochemical characterization of a novel bismuth silicate templated by tetrapropylammonium bromide and polydiallyldimethylammonium chloride
N2 - A bismuth silicate (BiSi-1) was hydrothermally synthesized using tetrapropylammonium bromide (TPA·Br) as the organic structure-directing agent and shown by multi-scale characterization to be distinct from known Bi–silicates. Powder X-ray diffraction is indexable with an orthorhombic metric (a = 23.234 Å, b = 17.109 Å, c = 3.897 Å), consistent with a highly anisotropic, possibly layered framework. High-resolution TEM/SAED reveals nanocrystalline, plate-like domains assembled into sub-micrometric aggregates with locally oriented lamellae; lattice fringes (0.27–0.32 nm) match the strongest XRD spacings. Solid-state NMR establishes a silica-rich network with a dominant Q4 population (77%) and minor Q3 (11%) and Q2 (12%) sites; the contact-time dependence of 1H to 29Si cross-polarization is consistent with increasing proximal-proton density from Q4 to Q2. Aging to 24 h sharpens the 29Si lineshape, while calcination progressively removes the OSDA and vicinal hydroxyls; at 750 °C, 29Si spectra indicate framework densification/rearrangement. XANES/EXAFS places bismuth predominantly as Bi3+ in an oxide-like environment with a pronounced Bi–O first shell and no detectable Bi⁰ or Bi–Br contributions. ICP–OES yields a reproducible Bi/Si atomic ratio of 1:3. Thermogravimetry shows stepwise desorption, dehydroxylation, and template removal, with thermal stability maintained to 750 °C. Nitrogen sorption confirms mesoporosity in the as-made and Soxhlet-extracted solids (the latter exhibiting the highest surface area), whereas high-temperature calcination reduces porosity. Collectively, BiSi-1 emerges as a nanocrystalline, anisotropic Bi–silicate whose connectivity, local Bi–O environment, and accessible texture are tunable by aging and post-treatments, positioning it as a promising platform for heterogeneous catalysis and environmental remediation.
KW - 29Si NMR
KW - Bismuth
KW - Silicate
PY - 2025
DO - https://doi.org/10.1007/s10853-025-11732-6
SN - 0022-2461
VL - 60
IS - 45
SP - 22615
EP - 22635
PB - Springer Science and Business Media LLC
AN - OPUS4-64755
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Chahal, Shweta
T1 - Sustainable Synthesis of Na+ and Bi3+ - doped Cs₂AgInCl₆ Double Perovskites for Efficient White-Light Emission
N2 - Double halide perovskites have emerged as promising, less-toxic alternatives to lead-based perovskites for diverse photochemical applications. Among them, Cs₂AgInCl₆ has attracted significant attention, particularly when doped with various elements, which induce self-trapped exciton (STE) states within the bandgap, resulting in efficient white-light emission and a remarkable enhancement of photoluminescence quantum yield (PL QY). While several solid-state and solution-based methods have been employed for the synthesis of double halide perovskites, many rely on toxic solvents and complex procedures, hindering scalability. In this study, we present two environmentally friendly synthesis approaches for the preparation of Cs₂AgInCl₆ doped with monovalent (Na⁺) and trivalent (Bi³⁺) cations:
1. Green solution-based method: Utilizes mild reagents and entirely replaces harsh chemicals, enabling synthesis at ambient conditions.
2. Mechanochemical approach: Employs high-energy ball milling for 62 minutes at room temperature to obtain the desired crystalline phase.
These green methodologies provide sustainable and scalable alternatives to conventional routes, minimizing the environmental footprint. We systematically compare the structural and optical properties of the doped perovskites synthesized via both approaches. The resulting materials exhibit strong UV absorption, broadband white-light emission, high PL QY (up to 85%, Fig. 1), long PL lifetimes, and good thermal and environmental stability (up to 300 °C in air). These results highlight the potential of doped Cs₂AgInCl₆ double perovskites as an eco-friendly material with possible photonic applications as in white-light devices.
T2 - eMRS Fall Meeting 2025
CY - Warsaw, Poland
DA - 15.09.2025
KW - Fluorescence
KW - Advanced material
KW - Perovskite
KW - Synthesis
KW - Characterization
KW - Fluorescence quantum yield
KW - Absolute
KW - Integrating sphere spectroscopy
KW - Sustainable synthesis
KW - Lifetime
KW - Photophysics
PY - 2025
AN - OPUS4-64185
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Bügel, Stefanie
A1 - Hähnel, Malte
A1 - Kunde, Tom
A1 - de Sousa Amadeu, Nader
A1 - Sun, Yangyang
A1 - Spieß, Alex
A1 - Beglau, Thi Hai Yen
A1 - Schmidt, Bernd M.
A1 - Janiak, Christoph
T1 - Synthesis and Characterization of a Crystalline Imine-Based Covalent Organic Framework with Triazine Node and Biphenyl Linker and Its Fluorinated Derivate for CO2/CH4 Separation
N2 - : A catalyst-free Schiff base reaction was applied to synthesize two imine-linked covalent organic frameworks (COFs). The condensation reaction of 1,3,5-tris-(4-aminophenyl)triazine (TAPT) with 4,40-biphenyldicarboxaldehyde led to the structure of HHU-COF-1 (HHU = Heinrich-Heine University). The fluorinated analog HHU-COF-2 was obtained with 2,20,3,30,5,50,6,60-octafluoro 4,40
-biphenyldicarboxaldehyde. Solid-state NMR, infrared spectroscopy, X-ray photoelectron spectroscopy, and elemental analysis confirmed the successful formation of the two network structures. The crystalline materials are characterized by high Brunauer–Emmett–Teller surface areas of 2352 m2/g for HHU-COF-1 and 1356 m2/g for HHU-COF-2. The products of a larger-scale synthesis were applied to prepare mixed-matrix membranes (MMMs) with the polymer Matrimid. CO2/CH4 permeation tests revealed a moderate increase in CO2 permeability at constant selectivity for HHU-COF-1 as a dispersed phase, whereas application of the fluorinated COF led to a CO2/CH4 selectivity increase from 42 for the pure Matrimid membrane to 51 for 8 wt% of HHU-COF-2 and a permeability increase from 6.8 to 13.0 Barrer for the 24 wt% MMM
KW - Separation
KW - COF
KW - MMM
KW - CO2
PY - 2022
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-618625
DO - https://doi.org/10.3390/ma15082807
VL - 15
IS - 8
SP - 2807
PB - MDPI
AN - OPUS4-61862
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kossatz, Philipp
A1 - Mezhov, Alexander
A1 - Andresen, Elina
A1 - Prinz, Carsten
A1 - Schmidt, Wolfram
A1 - Resch-Genger, Ute
T1 - Assessing the Applicability of Lanthanide-Based Upconverting Nanoparticles for Optically Monitoring Cement Hydration and Tagging Building Materials
N2 - Chemically stable, lanthanide-based photon upconversion micro- and nanoparticles (UCNPs) with their characteristic multicolor emission bands in the ultraviolet (UV), visible (vis), near-infrared (NIR), and short-wave infrared (SWIR) arepromising optical reporters and barcoding tags. To assess the applicability of UCNPs for the monitoring of early stage cement hydration processes and as authentication tags for cementitious materials, we screened the evolution of the luminescence of Selfmade core-only NaYF4:Yb,Er UCNPs and commercial μm-sized Y2O2S:Yb,Er particles during the first stages of cement hydration, which largely determines the future properties of the hardened material. Parameters explored from the UCNP side included particle size, morphology, surface chemistry or coating, luminescence properties, and concentration in different cement mixtures. From the cement side, the influence of the mineral composition of the cement matrix was representatively examined for ordinary Portland cement (OPC) and its constituents tricalcium aluminate (C3A), tricalcium silicate (C3S), and gypsum at different water to cement ratios. Based on reflection and luminescence measurements, enabling online monitoring, which were complemented by XRD and isothermal heat-flow calorimetric measurements to determine whether the incorporation of these particles could impair cement hydration processes, well suited lanthanide particle reporters could be identified as well as application conditions. In addition, thereby the reporter influence on cement hydration kinetics could be minimized while still preserving a high level of information content. The best performance for the luminescence probing of changes during early stage cement hydration processes was observed for 25 nm-sized oleate (OA)-coated UCNPs added in a concentration of 0.1 wt %. Higher UCNP amounts of 1.0 wt % delayed cement hydration processes size- and surface coatingspecifically in the first 24 h. Subsequent luminescence stability screening studies performed over a period of about one year support the applicability of UCNPs as optical authentication tags for construction materials.
KW - Quality assurance
KW - Fluorescence
KW - Nano
KW - Particle
KW - Synthesis
KW - Quantum yield
KW - NIR
KW - Mechanism
KW - Characterization
KW - XRD
KW - Calorimetry
KW - Advanced material
KW - Cement
KW - Monitoring
KW - Surface
KW - Size
KW - Lifetime
KW - Barcode
KW - Lanthanide
KW - Upconversion
KW - Encoding
KW - Method
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-638318
DO - https://doi.org/10.1021/acsomega.5c02236
SN - 2470-1343
VL - 10
IS - 29
SP - 31587
EP - 31599
PB - ACS Publications
CY - Washington, DC
AN - OPUS4-63831
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Appel, Paul Alexander
A1 - Prinz, Carsten
A1 - Low, Jian Liang
A1 - Asres, Nahom Enkubahri
A1 - Wu, Shu-Han
A1 - Freytag, Annica
A1 - Krug von Nidda, Jonas
A1 - de Sousa Amadeu, Nader
A1 - Fellinger, Tim-Patrick
T1 - Kern–Schale: Versiegelung nanoporöser Partikel mit semipermeablen Kohlenstoffschichten befreit Hartkohlenstoffanoden von ihrem Dilemma
N2 - In der vorliegenden Arbeit wird eine Kern-Schale-Strategie vorgestellt, die das grundlegende Problem gängiger nichtgraphitischer Hartkohlenstoff-Anoden adressiert: Hohe reversible Kapazitäten gehen bislang typischerweise mit erheblichen irreversiblen Verlusten in den ersten Zyklen einher. Analog zu Graphit, das sowohl Lithiumspeicherung als auch die Abtrennung von Elektrolytlösungsmitteln in einer homogenen Struktur vereint, zeigen wir, dass sich diese beiden Funktionen auch in nichtgraphitischen Kohlenstoffen gezielt in einer heterogenen Architektur kombinieren lassen. Hochporöse Aktivkohlen werden durch kinetisch kontrollierte Gasphasenabscheidung mit einer dünnen Schicht nichtgraphitischen Kohlenstoffs überzogen, sodass eine funktionale Kern-Schale-Struktur entsteht. Gasadsorptionsmessungen an Kern-, Schalen-, Kern-Schale- und mechanisch beschädigte Kern-Schale-Partikeln, bestätigen, dass die Porosität des Kerns erhalten bleibt und die Schale semipermeabel ist. Die Sorption von Diethylcarbonat wird als geeignetere Methode im Vergleich zu N2- oder CO2-Sorptionsmessungen eingeführt, um die irreversiblen Verluste des ersten Zyklus mit der tatsächlichen Flüssig-Fest-Grenzfläche von Kohlenstoffanoden zu verknüpfen. Die funktionalen Kern-Schale-Partikel zeigen eine stark reduzierte Aufnahme von Diethylcarbonat, was hohe reversible Kapazitäten bei deutlich geringeren Erstzyklusverlusten ermöglicht. Bei einer reversiblen Kapazität von 400 ± 24 mAh g−1 und einer initialen Coulombeffizienz von 82 ± 2% zeigt sich, dass die dreistufige Natriumspeicherung in der gezielt entwickelten Kern-Schale-Architektur den größeren Ionenradius von Natrium gegenüber Lithium (372 mAh g−1 in Graphit) kompensieren kann. Die entwickelten Kern-Schale-Anoden erreichen damit ein Leistungsniveau, das für eine kommerzielle Anwendung vielversprechend ist.
KW - Kern-Schale-Struktur
KW - Natriumionenbatterie
KW - Hartkohlenstoffanode
KW - Diethylcarbonatdampfsorption
KW - Aktivkohle
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-655354
DO - https://doi.org/10.1002/ange.202519457
SN - 1521-3757
N1 - Es gibt eine parallele Sprachausgabe (englisch), ein Link befindet sich im Feld zugehöriger Identifikator - There is a parallel language edition (English), a link is in the field related identifier
SP - 1
EP - 10
PB - Wiley-VCH
CY - Weinheim
AN - OPUS4-65535
LA - deu
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Appel, Paul Alexander
A1 - Prinz, Carsten
A1 - Low, Jian Liang
A1 - Asres, Nahom Enkubahri
A1 - Wu, Shu-Han
A1 - Freytag, Annica
A1 - Krug von Nidda, Jonas
A1 - de Sousa Amadeu, Nader
A1 - Fellinger, Tim-Patrick
T1 - Core‐Shell: Resolving the Dilemma of Hard Carbon Anodes by Sealing Nanoporous Particles With Semi‐Permeable Coatings
N2 - A core-shell strategy is introduced to overcome the dilemma of common non-graphitic hard carbon anodes, linking high reversible storage capacity to practically unacceptable irreversible losses in the first cycle(s). Just as Graphite homogeneously combines effective lithium storage with an electrolyte solvent-sieving function, we show that both of these functions could be strategically integrated into non-graphitic carbons in a heterogeneous structure. Highly porous activated carbons are sealed by kinetically tuned gas-phase deposition of non-graphitic carbon to form a functional core-shell structure. Gas sorption porosimetry on core, shell, core–shell, and cracked core-shell particles confirms preserved core porosity and a semi-permeable shell. Diethyl carbonate sorption analysis is introduced as a more suitable probe than N2 or CO2 sorption, linking first-cycle losses to the liquid–solid interface of carbon anodes. The functional core-shell particles with much reduced diethyl carbonate uptake allow for high storage capacity and reduced first cycle losses. Delivering 400 ± 24 mAh g−1 with 82 ± 2% first-cycle reversibility, it is shown that three-stage Na storage in designed core-shell anodes can compensate for the larger size of sodium compared to lithium stored in graphite anodes (372 mAh g−1). The designed core-shell anodes show state-of-the-art performance with commercial promise.
KW - Sodium-ion battery
KW - Activated carbon
KW - Core-shell
KW - Hard carbon anode
KW - Diethyl carbonate vapor sorption
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-655346
DO - https://doi.org/10.1002/anie.202519457
SN - 1433-7851
N1 - Es gibt eine parallele Sprachausgabe (deutsch), ein Link befindet sich im Feld zugehöriger Identifikator - There is a parallel language edition (German), a link is in the field related identifier
SP - 1
EP - 9
PB - Wiley-VCH
CY - Weinheim
AN - OPUS4-65534
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - GEN
A1 - Radnik, Jörg
A1 - Chemello, Giovanni
A1 - Knigge, Xenia
A1 - Al-Sabbgh, Dominik
A1 - Hodoroaba, Vasile-Dan
T1 - XPS, HAXPES, XRD and SEM datasets of functionalized graphene nanoplateletes
N2 - The datasets from (Hard Energy) X-ray photoelectron spectroscopy, X-ray diffraction and Scanning Electron Microsopy are related to the publication
G. Chemello, X. Knigge, D. Ciornii, B.P. Reed, A.J. Pollard, C.A. Clifford, T. Howe, N. Vyas, V.-D. Hodoroaba, J. Radnik
"Influence of the morphology on the functionalization of graphene nanoplatelets analyzed by comparative photoelectron spectroscopy with soft and hard X-rays"
Advanced Materials Interfaces (2023), DOI: 10.1002/admi.202300116.
KW - Graphene related 2D materials
KW - X-ray photoelectron spectroscopy
KW - Hard-energy X-ray photoelectron spectroscopy
KW - Scanning electron microscopy
KW - Powder X-ray diffraction
PY - 2023
DO - https://doi.org/10.5281/zenodo.7956497
PB - Zenodo
CY - Geneva
AN - OPUS4-57898
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Miliūtė, Aistė
A1 - Bustamante, Joana
A1 - Mieller, Björn
A1 - Stawski, Tomasz
A1 - George, Janine
A1 - Knoop, F.
T1 - High-quality zirconium vanadate samples for negative thermal expansion (NTE) analysis
N2 - Zirconium vanadate (ZrV2O7) is a well-known negative thermal expansion (NTE) material which exhibits significant isotropic contraction over a broad temperature range (~150°C < T < 800°C). The linear thermal expansion coefficient of ZrV2O7 is −7.1×10-6 K-1. Therefore, it can be used to create composites with controllable expansion coefficients and prevent destruction by thermal shock.
Material characterization, leading to application, requires pure, homogenous samples of high crystallinity via a reliable synthesis route. While there is a selection of described syntheses in the literature, it still needs to be addressed which synthesis route leads to truly pure and homogenous samples. Here, we study the influence of the synthesis methods (solid-state, sol-gel, solvothermal) and their parameters on the sample's purity, crystallinity, and homogeneity. The reproducibility of results and data obtained with scanning electron microscopy (SEM), X-ray diffraction (XRD), differential scanning calorimetry, and thermogravimetric analysis (DSC/TGA) were analyzed extensively. The sol-gel method proves superior to the solid-state method and produces higher-quality samples over varying parameters. Sample purity also plays an important role in NTE micro and macro-scale characterizations that explain the impact of porosity versus structural changes.
Moreover, we implement ab-initio-based vibrational computations with partially treated anharmonicity (quasi-harmonic approximation, temperature-dependent effective harmonic potentials) in combination with experimental methods to follow and rationalize the negative thermal expansion in this material, including the influence of the local structure disorder, microstructure, and defects. Khosrovani et al. and Korthuis et al., in a series of diffraction experiments, attributed the thermal contraction of ZrV2O7 to the transverse thermal motion of oxygen atoms in V-O-V linkages. In addition to previous explanations, we hypothesize that local disorder develops in ZrV2O7 crystals during heating.
We are working on the experimental ZrV2O7 development and discuss difficulties one might face in the process as well as high-quality sample significance in further investigation. The obtained samples are currently used in the ongoing research of structure analysis and the negative thermal expansion mechanism.
T2 - TDEP2023: Finite-temperature and anharmonic response properties of solids in theory and practice
CY - Linköping, Sweden
DA - 21.08.2023
KW - NTE
KW - Sol-gel
KW - Solid-state
KW - Ab-initio
KW - TDEP
PY - 2023
AN - OPUS4-58135
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Miliūtė, Aistė
A1 - Bustamante, Joana
A1 - Mieller, Björn
A1 - Stawski, Tomasz
A1 - George, Janine
A1 - Knoop, F.
T1 - High-quality zirconium vanadate samples for negative thermal expansion (NTE) analysis
N2 - Zirconium vanadate (ZrV2O7) is a well-known negative thermal expansion (NTE) material which exhibits significant isotropic contraction over a broad temperature range (~150°C < T < 800°C). The linear thermal expansion coefficient of ZrV2O7 is −7.1×10-6 K-. Therefore, it can be used to create composites with controllable expansion coefficients and prevent destruction by thermal shock.
Material characterization, leading to application, requires pure, homogenous samples of high crystallinity via a reliable synthesis route. While there is a selection of described syntheses in the literature, it still needs to be addressed which synthesis route leads to truly pure and homogenous samples. Here, we study the influence of the synthesis methods (solid-state, sol-gel, solvothermal) and their parameters on the sample's purity, crystallinity, and homogeneity. The reproducibility of results and data obtained with scanning electron microscopy (SEM), X-ray diffraction (XRD), differential scanning calorimetry, and thermogravimetric analysis (DSC/TGA) were analyzed extensively. The sol-gel method proves superior to the solid-state method and produces higher-quality samples over varying parameters. Sample purity also plays an important role in NTE micro and macro-scale characterizations that explain the impact of porosity versus structural changes.
Moreover, we implement ab-initio-based vibrational computations with partially treated anharmonicity (quasi-harmonic approximation, temperature-dependent effective harmonic potentials) in combination with experimental methods to follow and rationalize the negative thermal expansion in this material, including the influence of the local structure disorder, microstructure, and defects. Khosrovani et al. and Korthuis et al., in a series of diffraction experiments, attributed the thermal contraction of ZrV2O7 to the transverse thermal motion of oxygen atoms in V-O-V linkages. In addition to previous explanations, we hypothesize that local disorder develops in ZrV2O7 crystals during heating.
We are working on the experimental ZrV2O7 development and discuss difficulties one might face in the process as well as high-quality sample significance in further investigation. The obtained samples are currently used in the ongoing research of structure analysis and the negative thermal expansion mechanism.
T2 - 4th International Symposium on Negative Thermal Expansion and Related Materials (ISNTE-4)
CY - Padua, Italy
DA - 04.07.2023
KW - NTE
KW - Sol-gel
KW - Solid-state
KW - Ab-initio
KW - TDEP
PY - 2023
AN - OPUS4-58132
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Miliūtė, Aistė
A1 - Bustamante, Joana
A1 - Mieller, Björn
A1 - Stawski, Tomasz
A1 - George, Janine
A1 - Knoop, F.
T1 - High-quality zirconium vanadate samples for negative thermal expansion (NTE) analysis
N2 - Zirconium vanadate (ZrV2O7) is a well-known negative thermal expansion (NTE) material which exhibits significant isotropic contraction over a broad temperature range (~150°C < T < 800°C). The linear thermal expansion coefficient of ZrV2O7 is −7.1×10-6 K-. Therefore, it can be used to create composites with controllable expansion coefficients and prevent destruction by thermal shock.
Material characterization, leading to application, requires pure, homogenous samples of high crystallinity via a reliable synthesis route. While there is a selection of described syntheses in the literature, it still needs to be addressed which synthesis route leads to truly pure and homogenous samples. Here, we study the influence of the synthesis methods (solid-state, sol-gel, solvothermal) and their parameters on the sample's purity, crystallinity, and homogeneity. The reproducibility of results and data obtained with scanning electron microscopy (SEM), X-ray diffraction (XRD), differential scanning calorimetry, and thermogravimetric analysis (DSC/TGA) were analyzed extensively. The sol-gel method proves superior to the solid-state method and produces higher-quality samples over varying parameters. Sample purity also plays an important role in NTE micro and macro-scale characterizations that explain the impact of porosity versus structural changes.
Moreover, we implement ab-initio-based vibrational computations with partially treated anharmonicity (quasi-harmonic approximation, temperature-dependent effective harmonic potentials) in combination with experimental methods to follow and rationalize the negative thermal expansion in this material, including the influence of the local structure disorder, microstructure, and defects. Khosrovani et al. and Korthuis et al., in a series of diffraction experiments, attributed the thermal contraction of ZrV2O7 to the transverse thermal motion of oxygen atoms in V-O-V linkages. In addition to previous explanations, we hypothesize that local disorder develops in ZrV2O7 crystals during heating.
We are working on the experimental ZrV2O7 development and discuss difficulties one might face in the process as well as high-quality sample significance in further investigation. The obtained samples are currently used in the ongoing research of structure analysis and the negative thermal expansion mechanism.
T2 - 16th International conference on materials chemistry (MC16)
CY - Dublin, Ireland
DA - 03.07.2023
KW - NTE
KW - Sol-gel
KW - Solid-state
KW - Ab-initio
KW - TDEP
PY - 2023
AN - OPUS4-58134
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Miliūtė, Aistė
A1 - George, Janine
A1 - Mieller, Björn
A1 - Stawski, Tomasz
T1 - ZrV2O7 negative thermal expansion (NTE) material
N2 - Zirconium vanadate (ZrV2O7) is a well-known negative thermal expansion (NTE) material that exhibits significant isotropic contraction over a broad temperature range (~150°C < T < 800°C). Therefore, it can be used to create composites with controllable expansion coefficients and prevent thermal stress, fatigue, cracking, and deformation at interfaces. We implement interdisciplinary research to analyze such material. We study the influence of the synthesis methods and their parameters on the sample's purity, crystallinity, and homogeneity. Moreover, we implement ab initio-based vibrational computations with partially treated anharmonicity in combination with experimental methods to follow temperature-induced structural changes and rationalize the negative thermal expansion in this material, including the influence of the local structure disorder.
T2 - SALSA Make and Measure Conference
CY - Berlin, Germany
DA - 13.09.2023
KW - NTE
KW - Composites
KW - TEM
PY - 2023
AN - OPUS4-58367
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Miliūtė, Aistė
T1 - Structural evolution of ZrV2O7: supercell persistence revealing local and global structure duality
N2 - In the AM2O7 family of negative thermal expansion materials (NTE), evidence of supercell at room temperature was reported following the Völlenke et al. discovery of missed superlattice due to the apparent linearity of the M-O-M bond in GeP2O7. Korthuis et al. and Khosrovani et al. demonstrated it to be true for cubic ZrV2O7 as well. It was concluded that at room temperature, the structure consists of 27 'subcells' with bent M2O7 groups that appear to form a linear configuration due to refinement of averaged position. However, around 100 °C, the transition to the “parent” cell was reported, where the cell volume increases, and the M-O-M angles are constrained by the Pa-3 space group symmetry to be 180°.
We followed structural changes in the ZrV2O7 at high temperatures to demonstrate partial disorder within the crystal, local and global structural duality and supercell persistence at high temperatures. Total scattering measurements and Pair Distribution Function (PDF) analysis revealed that the experimental pattern cannot be fitted with the “parent structure” model, and only the 3×3×3 supercell model can correspond to local and global structures throughout the full 25-700 °C temperature range.
We also show how short and long-range order within the crystal changes when approaching the phase transition, which might indicate the existence of coherent structural domains that evolve between order and disorder with increasing temperature. We further hypothesize how this can be related to the negative thermal expansion mechanism and the interpretation of structure solutions presenting data from high-temperature X-ray absorption fine structure (XAFS) and Transmission Electron Microscopy (TEM) measurements.
T2 - 5th International Symposium on Negative Thermal Expansion and Related Materials (ISNTE-5)
CY - Porto, Portugal
DA - 29.07.2025
KW - NTE
KW - Ab initio
KW - PDF
KW - CSM
PY - 2025
AN - OPUS4-63874
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Miliūtė, Aistė
T1 - Theoretical and experimental development of negative thermal expansion material ZrV2O7
N2 - Zirconium vanadate (ZrV2O7) is a well-known negative thermal expansion (NTE) material which stands out for its remarkable isotropic unit cell contraction over a broad temperature range (130°C < T < 800°C). This enables the fabrication of composites where the overall expansion coefficient can be tailored to a specific negative, positive, or neutral value. Consequently, such composite materials are attractive for many device applications because they can compensate for damage caused by thermal expansion. They are relevant to optical systems, electronic and biomedical applications.
In this study, we implement ab-initio-based vibrational computations with partially treated anharmonicity (quasi-harmonic approximation (QHA), temperature-dependent effective harmonic potentials (TDEP)[5]) in combination with experimental methods to follow and rationalize the negative thermal expansion in this material, including the influence of the local structure disorder, microstructure, and defects. In analytical techniques that can provide structural information such as pair distribution function analysis (PDF), X-ray diffraction (XRD), and Extended X-ray Absorption Fine Structure (EXAFS), molecules and atoms are fit geometrically without consideration of atom interactions. Therefore, in combination with these methods, we also consider potential energy surfaces and conclude what structures are likely to form energetically in the full NTE temperature range, in addition to fitting experimental data geometrically. We also optimise experimentally fitted structures to their lowest energy configurations and re-generate comparative data to observe what differences would be visible experimentally.
T2 - XLVIII International Congress of Theoretical Chemists of Latin Expression
CY - Cartagena de Indias, Colombia
DA - 13.07.2025
KW - NTE
KW - Ab initio
KW - QHA
KW - TDEP
KW - anharmonicity
PY - 2025
AN - OPUS4-63873
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Saleh, Maysoon I.
A1 - Rühle, Bastian
A1 - Wang, Shu
A1 - Radnik, Jörg
A1 - You, Yi
A1 - Resch-Genger, Ute
T1 - Assessing the protective effects of different surface coatings on NaYF4:YB3+, Er3+, upconverting nanoparticles in buffer and DMEM
N2 - We studied the dissolution behavior of β NaYF4:Yb(20%), Er(2%) UCNP of two different sizes in biologically relevant media i.e., water (neutral pH), phosphate buffered saline (PBS), and Dulbecco’s modified Eagle medium (DMEM) at different temperatures and particle concentrations. Special emphasis was dedicated to assess the influence of different surface functionalizations, particularly the potential of mesoporous and microporous silica shells of different thicknesses for UCNP stabilization and protection. Dissolution was quantified electrochemically using a fluoride ion selective electrode (ISE) and by inductively coupled plasma optical emission spectrometry (ICP OES). In addition, dissolution was monitored fluorometrically. These experiments revealed that a thick microporous silica shell drastically decreased dissolution. Our results also underline the critical influence of the chemical composition of the aqueous environment on UCNP dissolution. In DMEM, we observed the formation of a layer of adsorbed molecules on the UCNP surface that protected the UCNP from dissolution and enhanced their fluorescence. Examination of this layer by X ray photoelectron spectroscopy (XPS) and mass spectrometry (MS) suggested that mainly phenylalanine, lysine, and glucose are adsorbed from DMEM. These findings should be considered in the future for cellular toxicity studies with UCNP and other nanoparticles and the design of new biocompatible surface coatings.
KW - Fluorescence
KW - Lifetime
KW - Method
KW - Quantification
KW - Stability
KW - Coating
KW - Surface chemistry
KW - Lanthanide
KW - Fluoride
KW - Electrochemistry
KW - ICP-OES
KW - Upconversion
KW - Nano
KW - Particle
KW - Aging
KW - Quality assurance
KW - Mass spectrometry
KW - XPS
PY - 2020
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-515984
DO - https://doi.org/10.1038/s41598-020-76116-z
SN - 2045-2322
VL - 10
IS - 1
SP - 19318-1
EP - 19318-11
PB - Springer Nature
CY - London
AN - OPUS4-51598
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Song, L.
A1 - You, Yi
A1 - Perdomo, R.
A1 - Evans-Nguyen, T.
T1 - Inexpensive Ultrasonic Nebulization Coupled with Direct Current Corona Discharge Ionization Mass Spectrometry for Liquid Samples and Its Fundamental Investigations
N2 - The concept of direct mass-spectrometric analysis, especially exploited by ambient desorption/ionization (ADI) methods, provides numerous means for convenient sample analysis. While many simple and versatile ionization sources have been developed, challenges lay in achieving efficient sample introduction. In previous work, a sample introduction method employing direct current corona discharge (CD) coupled to a surface acoustic wave nebulization (SAWN) device enhanced sampling performance for both polar and nonpolar analytes by up to 4 orders of magnitude. In fact, the SAWN-CD method generated a multiply charged peptide ion signal comparable to that of conventional ESI. Unfortunately, the high cost of the SAWN devices themselves limits their accessibility. Herein, we report on an analogous implementation of CD with an inexpensive ultrasonic nebulizer (USN) on the basis of a commercial room humidifier demonstrating equivalent exemplary performance. We subsequently compare the two methods of SAWN-CD and USN-CD in a screening application of milk for the detection of two antibiotic drugs, ciprofloxacin and ampicillin. Finally, we further investigate the relative softness of these CD-coupled acoustic nebulization methods in comparison to that of ESI using a survival yield study of the thermometer ion nitrobenzylpyridinium.
KW - Rapid Analysis
KW - Ultrasonic Nebulization
KW - Corona Discharge
PY - 2020
DO - https://doi.org/10.1021/acs.analchem.0c00524
VL - 92
IS - 16
SP - 11072
PB - ACS Publication
AN - OPUS4-51225
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - GEN
A1 - Maack, Stefan
A1 - Bertovic, Marija
A1 - Radtke, Martin
A1 - et al.,
ED - Wahlster, W.
ED - Winterhalter, C.
T1 - Deutsche Normungsroadmap künstliche Intelligenz
N2 - Rund ein Jahr haben DIN und DKE in einem gemeinsamen Projekt mit dem Bundesministerium für Wirtschaft und Energie und zusammen mit ca. 300 Fachleuten aus Wirtschaft, Wissenschaft, öffentlicher Hand und Zivilgesellschaft an der Normungsroadmap Künstliche Intelligenz gearbeitet. Eine hochrangige Steuerungsgruppe unter dem Vorsitz von Prof. Wolfgang Wahlster hat die Erarbeitung koordiniert und begleitet.
Ziel der Roadmap ist die frühzeitige Entwicklung eines Handlungsrahmens für die Normung und Standardisierung, der die internationale Wettbewerbsfähigkeit der deutschen Wirtschaft unterstützt und europäische Wertmaßstäbe auf die internationale Ebene hebt.
KW - Künstliche Intelligenz
KW - Normung
KW - Roadmap
PY - 2020
UR - https://www.din.de/resource/blob/772438/ecb20518d982843c3f8b0cd106f13881/normungsroadmap-ki-data.pdf
VL - 2020
SP - 1
EP - 232
PB - Deutsches Institut für Normung (DIN)
CY - Berlin
ET - 1.
AN - OPUS4-51733
LA - deu
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - de Oliveira Guilherme Buzanich, Ana
T1 - The versatility of X-ray absorption spectroscopy (XAS) for exploring new materials in collaborative research
N2 - With increasing demand and environmental concerns, researchers are exploring new materials that can perform as well or better than traditional materials while reducing environmental impact. X-ray absorption spectroscopy (XAS) enables unique atom-specific tool to probe the electronic structure of materials. The BAM plays a central role in this highly collaborative research. The BAMline, a real-life sample materials research beamline, at the Berlin Synchrotron BESSY-II, provides unique insights into materials’ electronic and chemical structure at different time and length scales. This enables real-time optimization of material properties and performance for various applications, such as energy storage and conversion, catalysis, and corrosion resistance. This talk provides an overview of the analytical methods and sample environments of the BAMline and addresses its potential for further advances in sustainable materials research.
T2 - International symposium of radiation physics (ISRP-16)
CY - Lisbon, Portugal
DA - 01.09.2024
KW - XAS
KW - Time-resolved studies
KW - Operando
KW - Corrosion
KW - Electrochemistry
PY - 2024
AN - OPUS4-60996
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Kulow, Anicó
T1 - Full field X-ray fluorescence imaging with coded apertures
N2 - Our aim is to develop a simple and inexpensive method for full field X-ray fluorescence imaging.We combine an energy-dispersive array detector with a coded aperture to obtain high resolution images. To obtain the information from the recorded image a reconstruction step is necessary. The reconstruction methods we have developed, were tested on simulated data and then applied to experimental data. The first tests were carried out at the BAMline @ BESSY II. This method enables the simultaneous detection of multiple elements, which is important e.g. in the field of catalysis.
T2 - CONEXS 2020
CY - Newcastle, UK
DA - 18.02.2020
KW - X-ray fluorescence spectroscopy
KW - Coded apertures
KW - Imaging
KW - Iterative reconstruction
PY - 2020
AN - OPUS4-50461
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - ChatGPT and epics: LLM enhanced control systems for synchrotron Beamlines
N2 - The presentation describes how large language models (LLMs) such as ChatGPT can be integrated with the EPICS control system to improve the automation and usability of synchrotron beamlines like the BAMline at BESSY II.
It explains how LLMs can interpret natural language instructions, translate them into EPICS commands, and interact with experimental tools to perform complex tasks such as moving motors, running scans, or adjusting beamline components. The system, named P.E.T.E.R. (Performance Enhancing Technology for Experimental Research), supports features like multi-step reasoning, Python scripting, feedback loops, multilingual input, and voice control using OpenAI’s ChatGPT and Whisper.
T2 - Workshop "BAM - Fraunhofer Materials LLM days"
CY - Tübingen, Germany
DA - 03.07.2025
KW - Chatgpt
KW - LLM
KW - EPICS
KW - BAMline
KW - Sanchrotron
PY - 2025
AN - OPUS4-64478
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - de Oliveira Guilherme Buzanich, Ana
T1 - Bridging Structure and Electronic State: Real-time XES–XRD Fusion for Functional Alloys
N2 - We present a unified X-ray Emission Spectroscopy (XES) and X-ray Diffraction (XRD) approach for real-time, in situ characterization of materials, demonstrated on Co₂FeSi Heusler alloys under varied heat treatments. The combination of XES and XRD is particularly well-suited to Heusler alloys, where subtle changes in atomic ordering and electronic structure (e.g. site occupancy, hybridization, and spin state) are tightly interdependent and critical for their magnetic and transport properties. In addition, this method enables more efficient materials design by reducing experimental iterations through comprehensive structural and electronic analysis. Developed at the mySpot beamline at BESSY-II, the platform integrates (a) digital twin-based experiment planning, (b) open-source XES spectral simulations, (c) an optimized single-shot, two-element XES setup with sub-pixel resolution for enhanced energy precision, and (d) result-driven beamtime utilization. With an unprecedented synchronized XES-XRD platform, we aim to shed light on how diffusion-controlled processes in Heusler alloys and double perovskites at elevated temperatures establish the formation of specific phases with distinct structure types in real time. This, in turn, strongly impacts the functional properties of the materials under scrutiny.
T2 - XLIV Colloquium Spectroscopicum Internationale
CY - Ulm, Germany
DA - 27.07.2025
KW - Multimodal
KW - X-ray spectroscopy
KW - X-ray diffraction
KW - Functional alloys
PY - 2025
AN - OPUS4-63991
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Machine learning: examples from BAMline
N2 - Various applications for artificial intelligence in the context of spectroscopy will be presented. in particular, examples from BAMline will be presented. After a short introduction to synchrotron radiation, artificial intelligence algorithms for the quantification of X-ray fluorescence measurement are discussed. In the second example, information retrieval by natural language processing is discussed.
T2 - Analytical Academy
CY - Online meeting
DA - 02.06.2020
KW - Machine learning
KW - BAMline
KW - XRF
KW - Synchrotron
PY - 2020
AN - OPUS4-51898
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Illuminating the Past, Shaping the Future: Advanced Technologies in Gold Analysis and Beamline Control
N2 - The presentation explores how synchrotron radiation is used for non-destructive and highly precise analysis of gold artifacts.
It explains how synchrotron radiation provides extremely bright and tunable X-rays that can examine very small areas with great accuracy. These features make it ideal for studying cultural heritage objects without damaging them. The presentation highlights case studies such as the Nebra Sky Disk, the Hiddensee gold jewelry, Phoenician ivory, and Egyptian gold from Abydos. These examples show how synchrotron-based techniques reveal details about the origin, composition, and manufacturing of ancient gold.
A major focus is the Bernstorf gold discovery in Bavaria. Over several years, different analytical methods, including synchrotron X-ray fluorescence, were applied to test whether the gold was genuinely ancient. The studies found nearly pure gold, sparking debate about whether such purity could be achieved in the Bronze Age.
In the final part, the presentation connects this research with modern developments in automation and artificial intelligence. It describes how beamline experiments can be controlled through the EPICS system, Python scripting, and AI tools such as ChatGPT and Whisper, enabling intelligent and voice-assisted operation.
T2 - Seminar Strahlenphysikalische Anwendungen in Technik und Medizin
CY - Wien, Austria
DA - 29.01.2025
KW - Synchrotron
KW - BAMline
KW - AI
KW - Gold
KW - XRF
PY - 2025
AN - OPUS4-64477
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - ChatGPT and EPICS: LLM-Enhanced Control Systems for Synchrotron Beamlines
N2 - The document highlights ChatGPT-EPICS integration for synchrotron beamline automation, employing tools like motor records, PV naming systems, and LLM inference. It evaluates efficiency and challenges in implementing automated motor optimization and handling EPICS controls.
T2 - BESSY science seminar
CY - Online meeting
DA - 22.11.2024
KW - Chatgpt
KW - EPICS
KW - BAMline
PY - 2024
AN - OPUS4-61896
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Yusenko, Kirill
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Radtke, Martin
T1 - Studies of high-entropy alloys using x-ray absorption fine structure at the bamline
N2 - BAM line is multipurpose high-energy beamline. To extend studies of multicomponent alloys using EXAFS we perform own research and user experiments requiring multiedge spectroscopy, high-temperature and chemically aggressive sample environments. Our study of multicomponent alloys and high-entropy alloys open new perspectives in understanding their reactivity, corrosion, phase transformations and local ordering.
T2 - SPP2006: large scale facilities
CY - Online meeting
DA - 02.11.2021
KW - Synchrotron studies
KW - High-entropy alloys
KW - EXAFS
PY - 2021
AN - OPUS4-54016
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Lilensten, L.
A1 - Provost, K.
A1 - Perrière, L.
A1 - Fonda, E.
A1 - Couzinié, J.
A1 - Amman, F.
A1 - Radtke, Martin
A1 - Dirras, G.
A1 - Guillot, I.
T1 - Experimental investigation of the local environment and lattice distortion in refractory medium entropy alloys
N2 - EXAFS analysis of pure elements, binary and ternary equiatomic refractory alloys within the Nb-Zr-Ti-Hf- Ta system is performed at the Nb and Zr K-edges to analyze the evolution of the chemical local environ- ment and the lattice distortion. A good mixing of the elements is found at the atomic scale. For some compounds, a distribution of distances between the central atom and its neighbors suggests a distortion of the structure. Finally, analysis of the Debye-Waller parameters shows some correlation with the lat- tice distortion parameter δ², and allows to quantify experimentally the static disorder in medium entropy alloys.
KW - BAMline
KW - Refractory alloys
KW - EXAFS
KW - Debye-Waller parameter
PY - 2022
DO - https://doi.org/10.1016/j.scriptamat.2022.114532
SN - 1359-6462
VL - 211
SP - 1
EP - 6
PB - Elsevier Ltd.
AN - OPUS4-55287
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Lutz, C.
A1 - Hampel, S.
A1 - Beuermann, S.
A1 - Turek, T.
A1 - Kunz, U.
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Radtke, Martin
A1 - Fittschen, U. E. A.
T1 - Investigation on Vanadium Species Distribution in Nafion™ 117 after Cyclization in a Vanadium Redox Flow Battery
N2 - The vanadium redox flow battery (VRFB) is currently a potential candidate for stationary energy storage. A major challenge is the unintended vanadium transport through the separator, which results in a fade of capacity. To overcome this issue, it is necessary to understand the transport processes in the membrane on a more fundamental level. In this work, the vanadium species distribution in Nafion™ 117 after cyclization was investigated. Two membranes, one from a charged VRFB and another from a discharged VRFB, were analyzed using ultraviolet–visible spectroscopy (UV/VIS) and X-ray absorption near edge structure spectroscopy (XANES). Little difference between the two membranes was recognizable according to the UV/VIS results. In comparison, the XANES results showed that the membrane from the charged VRFB contains more V3+ than VO2+, whereas for the discharged case, more VO2+ is present in the membrane.
KW - Synchrotron
KW - BAMline
KW - XANES
KW - Vanadium redox flow battery
PY - 2021
VL - 64
SP - 1
EP - 8
AN - OPUS4-54144
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Bruna, F. G.
A1 - Prokop, M.
A1 - Bystron, T.
A1 - Loukrakpam, R.
A1 - Melke, J.
A1 - Lobo, C. M. S.
A1 - Fink, M.
A1 - Zhu, M.
A1 - Voloshina, E.
A1 - Kutter, M.
A1 - Hoffmann, H.
A1 - Yusenko, Kirill
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Röder, B.
A1 - Bouzek, K.
A1 - Paulus, B.
A1 - Roth, C.
T1 - Following adsorbed intermediates on a platinum gas diffusion electrode in H3PO3‑containing electrolytes using in situ X‑ray absorption spectroscopy
N2 - One of the challenges of high-temperature polymer electrolyte membrane fuel cells is the poisoning of the Pt catalyst with H3PO4. H3PO4 is imbibed into the routinely used polybenzimidazole-based membranes, which facilitate proton conductivity in the temperature range of 120−200 °C. However, when leached out of the membrane by water produced during operation, H3PO4 adsorbs on the Pt catalyst surface, blocking the active sites and hindering the oxygen reduction reaction (ORR).
The reduction of H3PO4 to H3PO3, which occurs at the anode due to a combination of a low potential and the presence of gaseous H2, has been investigated as an additional important contributing factor to the observed poisoning effect. H3PO3 has an affinity toward adsorption on Pt surfaces even greater than that of H2PO4 −. In this work, we investigated the poisoning effect of both H3PO3 and H3PO4 using a half-cell setup with a gas diffusion electrode under ambient conditions. By means of in situ X-ray absorption spectroscopy, it was possible to follow the signature of different species adsorbed on the Pt nanoparticle catalyst (H, O, H2PO4 −, and H3PO3) at different potentials under ORR conditions in various electrolytes (HClO4, H3PO4, and H3PO3). It was found that H3PO3 adsorbs in a pyramidal configuration P(OH)3 through a Pt−P bond. The competition between H3PO4 and H3PO3 adsorption was studied, which should allow for a better understanding of the catalyst poisoning mechanism and thus assist in the development of strategies to mitigate this phenomenon in the future by minimizing H3PO3 generation by, for example, improved catalyst design or adapted operation conditions or changes in the electrolyte composition.
KW - H3PO4 life cycle
KW - XAS
KW - In situ coupling
KW - High-temperature fuel cells
KW - Δμ XANES
KW - H3PO3
PY - 2022
DO - https://doi.org/10.1021/acscatal.2c02630
SN - 2155-5435
VL - 12
IS - 18
SP - 11472
EP - 11484
PB - ACS
CY - Washington, DC
AN - OPUS4-55815
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Lutz, C.
A1 - Hampel, S.
A1 - Ke, X.
A1 - Beuermann, S.
A1 - Turek, T.
A1 - Kunz, U.
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Radtke, Martin
A1 - Fittschen, U.
T1 - Evidence for redox reactions during vanadium crossover inside the nanoscopic water-body of Nafion 117 using X-ray absorption near edge structure spectroscopy
N2 - A major source of capacity fade of the common vanadium redox flow battery (VRFB) is the vanadium ion transport through the separator. However, different transport models disagree significantly in the diffusion coefficient for the different V species and the influence of different transport mechanisms. The underlying hypothesis of this work is that reactions inside the membrane are partly responsible for these discrepancies. Accordingly, it was investigated if redox reactions inside the nanoscopic water body of Nafion 117 can occur. X-ray absorption near edge structure spectroscopy (XANES) was used to distinguish between the different V species inside hydrated Nafion 117 and novel PVDF-based membranes. It was validated that the speciation of vanadium can be performed using the pre-edge peak energy and intensity. The experiments were performed as follows: strips of the membrane were exposed from one site to a V3+ solution (green) and from the other site to a VO2+ solution (yellow). The ions could diffuse into the membrane from both sides. A change of color of the membrane strip was observed. The blue color in the middle of the strip indicated that VO2+ was formed where V3+ and VO2+ got in contact. Using XANES this reaction inside Nafion was proven.
KW - PVDF-Based membrane
KW - VRFB
KW - Vanadium speciation
KW - XANES
KW - Nafion 117
PY - 2020
DO - https://doi.org/10.1016/j.jpowsour.2020.229176
VL - 483
SP - 229176
PB - Elsevier B.V.
AN - OPUS4-51719
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Cakir, Cafer Tufan
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Radtke, Martin
T1 - A Digital Twin Workflow for Optimizing X-ray Emission Spectroscopy (XES) Parameters in Material Science
N2 - In this contribution, I present a digital twin-based workflow designed to optimize experimental parameters in X-ray emission spectroscopy (XES), with a focus on reproducibility, data integration, and alignment with FAIR (Findable, Accessible, Interoperable, Reusable) principles in materials science and engineering (MSE). The developed pipeline begins with automated retrieval of crystallographic information from the Materials Project database based on a given sample composition. This structural data is then used to simulate the corresponding XES spectra using FDMNES, allowing for accurate prediction of element-specific emission lines.
The simulated emission lines are fed into an X-ray tracing (XRT) module, which builds a virtual replica of the experimental setup. This digital twin environment enables predictive modeling of spectrometer performance based on geometric configurations. The optimization focuses on two key parameters: the choice of the analyzing crystal and the distance between the sample and crystal (which also defines the crystal–detector distance due to Bragg condition constraints). An active learning algorithm is employed to iteratively adjust these parameters in order to achieve a desired energy-per-pixel (E/pixel) resolution with minimal intensity loss, enabling efficient, data-driven experimental planning.
By integrating data-driven simulations with real-time optimization strategies, this workflow supports efficient experiment planning while minimizing resource consumption and human error. Furthermore, all stages of the process—from data collection and simulation to optimization and visualization—are structured to ensure traceability and interoperability, facilitating future reuse and collaborative research.
I hope this contribution aligns well with the topic “Workflows for FAIR MSE Data” and offers a concrete example of how digital twins can be harnessed to improve the design, execution, and documentation of spectroscopy experiments in the MSE domain.
T2 - Opportunities and Challenges of FAIR Data at Photon and Neutron Facilities
CY - Bad Honnef, Germany
DA - 12.10.2025
KW - Digital-Twin
KW - XES
KW - Optimization
KW - Machine Learning
PY - 2025
AN - OPUS4-64676
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Grengg, C.
A1 - Koraimann, G.
A1 - Ukrainczyk, N.
A1 - Rudic, O.
A1 - Luschnig, S.
A1 - Gluth, Gregor
A1 - Radtke, Martin
A1 - Dietzel, M.
A1 - Mittermayr, F.
T1 - Cu- and Zn-doped alkali activated mortar – Properties and durability in (bio)chemically aggressive wastewater environments
N2 - Metakaolin-based alkali activated mortars (AAM) - with and without CuSO4·5H2O and ZnO addition (mass ratio Mn+/solid binder 0.08% to 1.7%) - were casted and exposed within an extensive long-term field campaign over the period of 20 months to a sewer basin, strongly affected by biogenic acid corrosion. (Un-)exposed AAM were tested regarding their physicochemical and microstructural properties, bioreceptivity and overall durability. Metal addition led to a retarding effect during alkali-activation reaction, as well as to an increase in open porosity of up to 3.0% and corresponding lower compressive strength of up to 10.9%. Reduced microbial colonization and diversity were observed on AAM with Cu, while Zn addition led to increased biodiversity. We propose that the observed higher durability of Cu-doped AAM is due to antibacterial effects and associated reduction of biogenic acid production, superseding overall negative effects of metal-dosage on physical material properties. Observed lower durability of Zn-doped AAM was related to combined negative physicochemical and microbial effects.
KW - Microbially induced corrosion
KW - Alkali-activated materials
KW - Biogenic acid corrosion
KW - Biogene Schwefelsäurekorrosion
KW - MIC
PY - 2021
DO - https://doi.org/10.1016/j.cemconres.2021.106541
SN - 0008-8846
VL - 149
SP - 1
EP - 15
PB - Elsevier
CY - Oxford
AN - OPUS4-53070
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Gluth, Gregor
T1 - Sulfuric acid resistance of copper-doped and plain metakaolin-based alkali-activated materials studied by 29Si, 27Al and 1H MAS NMR, and Cu K-edge XANES spectroscopy
N2 - Alkali-activated materials have been repeatedly reported to exhibit high acid resistance, but no generally accepted hypothesis regarding the underlying mechanisms has emerged yet. To contribute to this issue, K-waterglass-activated metakaolin specimens, with and without the addition of CuSO4·5H2O in the starting mix, were exposed to either a chemically aggressive sewer environment (mortars) or sulfuric acid (pastes). The mode of copper incorporation in the materials and the formation of copper phases in the corroded layers were studied by XANES at the Cu K-edge, and 29Si, 27Al and 1H MAS NMR was employed to understand the processes during acid attack. Copper was found as a spertiniite-like phase in the as-cured materials, while in the deterioration layers of the pastes it was present as copper sulfate. In the corroded regions of the mortars, unequivocal identification of Cu phases was not possible, but the results were reconcilable with the presence of copper carbonate hydroxide. The solid-state NMR results revealed virtually complete dissolution of the K-A-S-H gel and the formation of silica gel, interpreted to be a central mechanism determining the acid resistance. No significant differences between the microstructural alterations of the pastes with and without Cu addition on (chemical) sulfuric acid attack were observed.
T2 - 74th RILEM Annual Week & 40th Cement and Concrete Science Conference
CY - Online meeting
DA - 31.08.2020
KW - Alkali-activated materials
KW - Sulfuric acid resistance
KW - Sewer structures
PY - 2020
AN - OPUS4-51198
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - INPR
A1 - Liu, Yanchen
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Alippi, Paola
A1 - Lee, Kug-Seung
A1 - Jeon, Taeyeol
A1 - Weißer, Kilian
A1 - Karlsen, Martin A.
A1 - Russo, Patrícia A.
A1 - Pinna, Nicola
T1 - FeNb2O6 as a high-performance anode for sodium-ion batteries enabled by structural amorphization coupled with NbO6 local ordering.
N2 - Pseudocapacitance-type transition metal oxides have been extensively investigated as anodes materials for lithium-ion batteries. Currently, they are also emerging as promising anodes for sodium-ion batteries due to their low volume change and safety. However, the potential electrochemical performance in sodium energy storage is not fully achieved, primarily due to the larger radius of the Na+-ions. Here, we report for the first time an iron niobate with columbite structure as a high-performance sodium storage anode. The presence of iron in the structure is vital to trigger the loss of long-range order through disorder of the FeO6 octahedra local structure, subsequently allowing reversible Na storage in an amorphous phase. Simultaneously, the formation of short-range ordered zigzag-chain structures within the NbO6 planes creates a “skeleton” that offers abundant active sites for pseudocapacitive ion storage and enhanced ion diffusion pathways. These characteristics of FeNb2O6 make it an effective intercalation host, offering high capacity along with fast Na+ insertion and extraction, as demonstrated through operando and ex-situ characterizations. It leads to an applicable reversible capacity ( 300 mAh g-1) with a favorable average voltage of ca. 0.6 V and excellent rate capability (180.4 mAh g-1 at a current density of 2 A g-1). This study provides insights into the development of intrinsically active transition metal oxides for Na+-ion intercalation.
KW - XAS
KW - Sodium-Ion-Batteries
KW - In-situ
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-631159
DO - https://doi.org/10.26434/chemrxiv-2025-2gn7z
SP - 1
EP - 51
PB - American Chemical Society (ACS)
AN - OPUS4-63115
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - X-Ray fluorescence with synchrotron radiation basics and applications
N2 - In this talk, the features of X-ray fluorescence analysis with synchrotron radiation will be presented. First, the basics of the origin of synchrotron radiation and X-ray fluorescence analysis and the experimental setup will be discussed. Then, examples of trace element detection, micrometer resolution, and application of the X-ray color camera will be shown.
T2 - HZB Photon school 2020
CY - Berlin, Germany
DA - 09.03.2020
KW - Synchrotron
KW - BAMline
KW - XRF
KW - Machine learning
PY - 2020
AN - OPUS4-51894
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Lin, R.
A1 - Li, X.
A1 - Krajnc, A.
A1 - Li, Z.
A1 - Li, M.
A1 - Wang, W.
A1 - Zhuang, L.
A1 - Smart, S.
A1 - Zhu, Z.
A1 - Appadoo, D.
A1 - Harmer, J. R.
A1 - Wang, Z.
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Beyer, S.
A1 - Wang, L.
A1 - Mali, G.
A1 - Bennett, T. D.
A1 - Chen, V.
A1 - Hou, J.
T1 - Mechanochemically Synthesised Flexible Electrodes Based on Bimetallic Metal–Organic Framework Glasses for the Oxygen Evolution Reaction
N2 - The melting behaviour of metal–organic frameworks (MOFs) has aroused significant research interest in the areas of materials science, condensed matter physics and chemical engineering. This work first introduces a novel method to fabricate a bimetallic MOF glass, through meltquenching of the cobalt-based zeolitic imidazolate Framework (ZIF) [ZIF-62(Co)] with an adsorbed ferric coordination complex. The high-temperature chemically reactive ZIF-62-(Co) liquid facilitates the formation of coordinative bonds between Fe and imidazolate ligands, incorporating Fe nodes into the framework after quenching. The resultant Co–Fe bimetallic MOF glass therefore shows a significantly enhanced oxygen evolution reaction performance. The novel bimetallic MOF glass, when combined with the facile and scalable mechanochemical synthesis technique for both discrete powders and surface coatings on flexible substrates, enables significant opportunities for catalytic device Assembly
KW - Electrodes
KW - MOF
KW - OER
KW - XANES
KW - XAS
KW - Bimetallic frameworks
PY - 2022
DO - https://doi.org/10.1002/anie.202112880
VL - 61
IS - 4
SP - e202112880
PB - Wiley
AN - OPUS4-54018
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Cakir, Cafer Tufan
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Radtke, Martin
T1 - Digital Twin for Multimodal Synchrotron Experiments
N2 - In this contribution, I present a digital twin-based workflow designed to optimize experimental parameters in X-ray emission spectroscopy (XES), with a focus on reproducibility, data integration, and alignment with FAIR (Findable, Accessible, Interoperable, Reusable) principles in materials science and engineering (MSE). The developed pipeline begins with automated retrieval of crystallographic information from the Materials Project database based on a given sample composition. This structural data is then used to simulate the corresponding XES spectra using FDMNES, allowing for accurate prediction of element-specific emission lines.
The simulated emission lines are fed into an X-ray tracing (XRT) module, which builds a virtual replica of the experimental setup. This digital twin environment enables predictive modeling of spectrometer performance based on geometric configurations. The optimization focuses on two key parameters: the choice of the analyzing crystal and the distance between the sample and crystal (which also defines the crystal–detector distance due to Bragg condition constraints). An active learning algorithm is employed to iteratively adjust these parameters in order to achieve a desired energy-per-pixel (E/pixel) resolution with minimal intensity loss, enabling efficient, data-driven experimental planning.
By integrating data-driven simulations with real-time optimization strategies, this workflow supports efficient experiment planning while minimizing resource consumption and human error. Furthermore, all stages of the process—from data collection and simulation to optimization and visualization—are structured to ensure traceability and interoperability, facilitating future reuse and collaborative research.
I hope this contribution aligns well with the topic “Workflows for FAIR MSE Data” and offers a concrete example of how digital twins can be harnessed to improve the design, execution, and documentation of spectroscopy experiments in the MSE domain.
T2 - MSE Research Data Forum 2025
CY - Siegburg, Germany
DA - 08.07.2025
KW - Multi Modal
KW - XRD
KW - XRF
KW - Optimization
PY - 2025
AN - OPUS4-63794
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - de Oliveira Guilherme Buzanich, Ana
T1 - The versatility of XAS@BAM for real-time in situ electrocatalysis in collaborative materials research
N2 - With the global push toward sustainable energy technologies, the development of efficient and durable electrocatalysts has become a research priority. Real-time in situ studies are essential to understand the dynamic behavior of catalysts under operational conditions. X-ray absorption spectroscopy (XAS) offers a unique, element-specific probe of electronic and structural changes at the active sites of electrocatalysts during electrochemical reactions.
At BAM, collaborative research efforts leverage the advanced capabilities of the BAMline at the Berlin Synchrotron BESSY-II to study electrocatalytic materials under realistic working conditions. As a dedicated materials research beamline, the BAMline enables in situ and operando XAS across different time and length scales, making it ideally suited for monitoring catalytic transformations in real time.
This presentation highlights the analytical strengths and sample environments developed for electrochemical cells at BAM, showcasing their application to electrocatalysis for energy conversion (e.g., water splitting, CO₂ reduction). Emphasis will be placed on how these insights contribute to the rational design and real-time optimization of functional materials for a sustainable energy future.
T2 - MATSUS Konferenz
CY - Valencia, Spanien
DA - 20.10.2025
KW - Operando
KW - XAS
KW - In situ
KW - Electrocatalysis
PY - 2025
AN - OPUS4-64493
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - From Egypt to Hiddensee – Analysis of Gold with Synchrotron Radiation V
N2 - Gold is one of the seven metals already known in antiquity and was used from time immemorial as a medium of exchange and for the production of jewelry because of its luster and rarity. In addition, it is easy to work and largely resistant to chemical influences. Investigations of gold using synchrotron radiation excited X-ray fluorescence analysis are non-destructive and provide information about the chemical elements present in the sample under investigation. The investigations presented here at BAMline focus on questions such as the origin, manufacturing process, and association of gold findings. The different questions are explained by a number of examples ranging from the Viking treasure from Hiddensee to the Nebra Sky Disk and finds from Egypt. The find from Bernstorf is discussed in detail. A Bayesian treatment of the authenticity is shown.
T2 - Ringvorlesung Einführung in die Archäometrie
CY - Berlin, Germany
DA - 01.11.2024
KW - Gold
KW - Synchrotron
KW - XRF
KW - BAMline
KW - Bayes
PY - 2024
AN - OPUS4-61699
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Getting more efficient – The use of Bayesian optimization and Gaussian processes at the BAMline
N2 - For more than 20 years, BAM is operating the BAMline at the synchrotron BESSY II in Berlin Adlershof. During this time, the complexity of the setup and the amount of data generated have multiplied. To increase the effectiveness and in preparation for BESSY III, algorithms from the field of machine learning are increasingly used.
After a short introduction to BO and GP, the first example is the automatic alignment of our double multilayer monochromator (DMM).
The second example is the optimization of measurement time in XRF scanning.
T2 - SNI2022 conference
CY - Berlin, Germany
DA - 05.09.2022
KW - Artificial Inelligence
KW - Machine Learning
KW - Bayesian Statistics
KW - Gaussian process
KW - X-ray fluorescence
KW - BAMline
PY - 2022
AN - OPUS4-56255
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Qureshi, Navid
A1 - Morrow, Ryan
A1 - Eltoukhy, Samar
A1 - Grinenko, Vadim
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Onykiienko, Yevhen A.
A1 - Kulbakov, Anton
A1 - Inosov, Dmytro S.
A1 - Adler, Peter
A1 - Valldor, Martin
T1 - Noncollinear Magnetic Structures in the Chiral Antiperovskite β-Fe2SeO
N2 - We present the magnetic properties of the chiral, polar, andpossibly magnetoelectric antiperovskite β-Fe2SeO as derived from magnet-ization and specific-heat measurements as well as from powder neutrondiffraction and Mössbauer experiments. Our macroscopic data unambig-uously reveal two magnetic phase transitions at TN1 ≈ 103 K and TN2 ≈ 78K, while Rietveld analysis of neutron powder diffraction data reveals anoncollinear antiferromagnetic structure featuring magnetic moments inthe a−b plane of the trigonal structure and a ferromagnetic moment alongc. The latter is allowed by symmetry between TN1 and TN2, weakly visible inthe magnetization data yet unresolvable microscopically. While theintermediate phase can be expressed in the trigonal magnetic spacegroup P31, the magnetic ground state is modulated by a propagation vectorq = (1/2 1/2 0) resulting in triclinic symmetry and an even more complexlow-temperature spin arrangement which is also reflected in the Mö ssbauer hyperfine patterns indicating additional splitting of Fesites below TN2. The complex noncollinear spin arrangements suggest interesting magnetoelectric properties of this polar magnet.
KW - EXAFS
KW - Antiperovskite
KW - Magnetic structure
PY - 2024
DO - https://doi.org/10.1021/acs.inorgchem.4c02916
SN - 0020-1669
VL - 63
IS - 48
SP - 22712
EP - 22720
PB - American Chemical Society (ACS)
AN - OPUS4-63116
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Smekhova, A.
A1 - Kuzmin, A.
A1 - Siemensmeyer, K.
A1 - Abrudan, R.
A1 - Reinholz, Uwe
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Schneider, M.
A1 - Laplanche, G.
A1 - Yusenko, Kirill
T1 - Inner relaxations in equiatomic single-phase high-entropy Cantoralloy
N2 - The superior properties of high-entropy multi-functional materials are strongly connected with their atomic heterogeneity through many different local atomic interactions. The detailed element-specific studies on a local scale can provide insight into the primary arrangements of atoms in multicomponent systems and benefit to unravel the role of individual components in certain macroscopic properties of complex compounds. Herein, multi-edge X-ray absorption spectroscopy combined with reverse Monte Carlo simulations was used to explore a homogeneity of the local crystallographic ordering and specific structure relaxations of each constituent in the equiatomic single-phase facecentered cubic CrMnFeCoNi high-entropy alloy at room temperature. Within the considered fitting approach, all five elements of the alloy were found to be distributed at the nodes of the fcc lattice without any signatures of the additional phases at the atomic scale and exhibit very close statistically averaged interatomic distances (2.54 – 2.55 Å) with their nearest-neighbors. Enlarged structural displacements were found solely for Cr atoms. The macroscopic magnetic properties probed by conventional magnetometry demonstrate no opening of the hysteresis loops at 5 K and illustrate a complex character of the long-range magnetic order after field-assisted cooling in ± 5 T. The observed magnetic behavior is assigned to effects related to structural relaxations of Cr. Besides, the advantages and limitations of the reverse Monte Carlo approach to studies of multicomponent systems like high-entropy alloys are highlighted.
KW - Magnetism
KW - High-entropy alloys
KW - Reverse Monte Carlo (RMC)
KW - Element-specific spectroscopy
KW - Extended X-ray absorption fine structure (EXAFS)
KW - X-ray absorption near edge structure (XANES)
PY - 2022
DO - https://doi.org/10.1016/j.jallcom.2022.165999
SN - 0925-8388
VL - 920
SP - 1
EP - 31
PB - Elsevier
AN - OPUS4-55457
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Yun, Tae Gyu
A1 - Chen, Boqiang
A1 - Wells, Sarah
A1 - Lim, Younghwan
A1 - Kim, Jun Seop
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Radtke, Martin
A1 - Waegele, Matthias M.
A1 - Risch, Marcel
A1 - Grimaud, Alexis
ED - de Oliveira Guilherme Buzanich, Ana
T1 - Extrinsic and Intrinsic Factors Governing the Electrochemical Oxidation of Propylene in Aqueous Solutions
N2 - The electrochemical synthesis of commoditychemicals such as epoxides and glycols offers a sustainablealternative to conventional methods that involve hazardouschemicals. Efforts to improve the yield and selectivity of propyleneoxidation using Pd-based catalysts have been shown to be highlysensitive to applied potential, pH, and electrochemical cell design.Record efficiencies and yields were obtained by substitution ofPdO by 4d or 5d transition metals, including Pt, with thus far littlerationale regarding the origin for the improvement. Throughelectrochemical analysis, scanning transmission electron micros-copy, X-ray absorption spectroscopy, and surface-enhanced infraredabsorption spectroscopy, we investigated the mechanism ofpropylene oxidation on Pd-based catalysts. We demonstrate thatadsorbates forming on PdO, where Pd adopts a square-planar coordination [PdO4], differ from that forming on the surface ofoxidized metallic Pd catalysts with an oxo intermediate mediating propylene oxidation on PdO. We further show that Pt substitutionin PdO does not modify this oxo intermediate. Varying pH, we found that the onset for propylene oxidation is pH independent,indicating a potential-determining step where the proton is not involved in and similar reaction pathway in acidic and near-neutralconditions. Finally, our work undoubtedly demonstrates that high Faradaic efficiency toward propylene glycol and propylene oxideformation, such as those previously reported in the literature, can be achieved by means of electrode engineering and mastery ofmass transport and local pH. Notably, we achieved ≈100% faradaic efficiency for propylene glycol at 1.7 V vs RHE in acidic mediausing a Pt-substituted PdO catalyst loaded onto a gas diffusion electrode.
KW - XAS
KW - Electrochemistry
KW - Popylene oxidation
KW - 4d metals
PY - 2025
DO - https://doi.org/10.1021/jacs.5c02585
SN - 0002-7863
VL - 147
IS - 14
SP - 12318
EP - 12330
PB - American Chemical Society (ACS)
AN - OPUS4-63112
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - de Oliveira Guilherme Buzanich, Ana
T1 - The versatility of X-ray absorption spectroscopy (XAS) for exploring new materials in collaborative research
N2 - From Physics Engineer at FCUL in Lisbon to senior scientist at the Federal Institute for Materials Research and Testing (BAM) in Berlin, Germany. In this seminar, a personal journey using X-rays as a tool to probe different types of materials will be given. Examples of applications relevant to our society demonstrate how versatile and useful X-rays are
T2 - Forschungsseminar an der FCUL (Univesity of Lisbon)
CY - Online meeting
DA - 25.10.2024
KW - XAS
KW - Time-resolved studies
KW - Operando
KW - Corrosion
KW - Electrochemistry
PY - 2024
AN - OPUS4-61597
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Fittschen, U.
A1 - Lutz, C.
T1 - Element Species Determination in Polymer Electrolyte Membranes
N2 - Polymer electrolyte membranes (PEM) are polymers which act as separator in an electrochemical cell and allow ionic charge flow to close the circuit. Widely used membranes are perfluorinated sulfonic-acid (PFSA) ionomers (e.g. Nafion™), a class of ion-conducting polymers with remarkable ion conductivity and chemical-mechanical stability. A nanoscopic water system around the sulfonic acid capped side-chains of the otherwise hydrophobic polymer allows the ion transport. Only approx. 14 molecules of water per sulfonic group are present in the fully hydrated state. In vanadium redox flow batteries (VRFB) ideally only protons are transported. The weak ion selectivity of Nafion™ is the main cause for the transportation of vanadium, briefly vanadium crossover, in VRFBs a system we have investigated more closely, lately. The consequences of crossover are a concentration imbalance and a self-discharge of the battery, which leads to a decrease of the capacity. The development of efficient energy storage systems is crucial for the transformation towards a renewable energy based economy. The VRFB has a great potential as a commercial electrochemical energy storage system due to properties including, but not limited to, no cross-contamination, a long cycle-life and a theoretically unlimited capacity. VRFB consists of two half-cells, which are linked to electrolyte tanks and separated by a membrane. The membrane plays a major role in overall cell performance. So far, vanadium transportation models, which include diffusion, migration, electroosmotic convection and pressure gradients, are inconsistent. There is no agreement in the literature on the diffusion coefficients of vanadium species (e.g. published diffusion coefficients of V2+ are located between 3.13·10-12 m²s-1 and 9.44·10-12 m²s-1) indicate that thevanadium crossover is not well understood and there is a lack on a more fundamental level. Since the membrane transport is the rate-determining step of the crossover as well as of the proton exchange it is extremely important to understand these phenomena on a fundamental level. This will eventually allow us to design better membranes. Alternative materials need to show equivalent performance compared with Nafion™ and ideally be more selective regarding ion cross-membrane transport.There are several options to approach the chemistry i.e. the interaction of dissolved and bound ions inside the confined water body of ionomeric membranes. Vanadium ions are a versatile model as UV/VIS data can be used to distinguish between the 5 species V2+, V3+, VO2+, VO2+ and V2O33+ of the electrolyte. Infrared spectroscopy has been applied to study the interaction of sulfonic groups and the ions. Molecular dynamic modeling is another approach to study the distribution and distances of ions. We now introduce X-ray absorption near edge structure spectroscopy (XANES) to study species and species changes inside Nafion™ and a novel membrane based on poly(1,1-difluoroethylene) (PVDF). We evaluated the methods and investigated the influence of irradiation, temperature and hydration on the measurements.
T2 - Denver X-Ray Conference
CY - Online meeting
DA - 03.08.2020
KW - Batteries
KW - BAMline
KW - XANES
PY - 2020
AN - OPUS4-51910
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - de Oliveira Guilherme Buzanich, Ana
T1 - Time resolved in situ monitoring of mechanochemical transformations by X-ray absorption spectroscopy (XAS)
N2 - Mechanochemical reactions promise a new direction for environmentally benign preparation of materials, and has been dubbed by IUPAC as one of the 10 chemical innovations that will change our world. Despite this significant promise, very little is known about the mechanisms that drive mechanochemical transformations, posing significant barriers to realizing their full potential. To this end, there is growing need to follow mechanochemical reactions in situ and in real time. We here describe advances in the development and application of XAS methods to monitor material synthesis in real time under mechanochemical conditions. We demonstrate the generality of our approaches by describing mechanochemical syntheses of materials by both vibratory ball milling and by Resonant Acoustic Mixing (RAM), where a time resolution of 1 second is for a whole XAS spectrum was achieved. Moreover, we describe how spectroscopic methods can be coupled to diffraction-based approaches, thereby providing new dimensions in understanding mechanochemical synthesis.
T2 - Advances X ray Analytics Seminar at TU Berlin
CY - Berlin, Germany
DA - 14.06.2022
KW - XAS
KW - Mechanochemistry
KW - Time resolved
KW - In situ
PY - 2022
AN - OPUS4-56259
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Flatken, M. A.
A1 - Radicchi, E.
A1 - Wendt, R.
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Härk, E.
A1 - Pascual, J.
A1 - Mathies, F.
A1 - Shargaieva, O.
A1 - Prause, A.
A1 - Dallmann, A.
A1 - De Angelis, F.
A1 - Hoell, A.
A1 - Abate, A.
T1 - Role of the Alkali Metal Cation in the Early Stages of Crystallization of Halide Perovskites
N2 - ABX3 metal halide perovskites revolutionized the research and development of new optoelectronics, including solar cells and light-emitting diodes. Processing polycrystalline thin films from precursor solutions is one of the core advantages of these materials since it enables versatile and cost-effective manufacturing. The perovskite film morphology, that is, continuous substrate coverage and low surface roughness, is of paramount importance for highly efficient solar cells and optoelectronic devices in general. Controlling the chemistry of precursor solutions is one of the most effective strategies to manage the perovskite film morphology. Herein, we show the fundamental influence of the A-site cation composition on the perovskite precursor arrangement and the consequent film formation. Extended X-ray absorption fine structure spectroscopy and small-angle X-ray scattering give unprecedented insights into the complex structural chemistry of the perovskite precursors and, in particular, their repulsive interactions as a crucial parameter for colloidal stability. Combining these techniques with in situ grazing incidence wide-angle X-ray scattering during thin-film formation allows us to identify the mechanism for using alkali metals as a decisive criterion to control the colloidal stability of the perovskite precursor and thus the thin-film morphology. We illustrate the fundamental principle behind the systematic use of alkali metals regardless of whether they are incorporated in the lattice or not. Hence, this work provides tools to selectively control the morphology and crystal growth in present and future systems
KW - MAPbI3 perovskites
KW - Halide Perovskites
KW - X-ray absorption spectroscopy
PY - 2022
DO - https://doi.org/10.1021/acs.chemmater.1c03563
SN - 0897-4756
VL - 34
IS - 3
SP - 1121
EP - 1131
PB - American Chemical Society
AN - OPUS4-54713
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Guerra, M.F.
A1 - Neri, E.
A1 - Radtke, Martin
T1 - Gold leaf tesserae: tracing the origins of gold using synchrotron-based techniques
N2 - To gain insight into the possible origin of the gold used in the production of tesserae containing gold leaf less than 0.5 μm thick placed between two layers of glass, we propose a non-destructive synchrotron radiation (SR) XRF protocol based on sequential analysis under optimised analytical conditions. Using this protocol, trace element analysis is achieved with detection limits of 1–6 mg/kg. As Pt and Au have adjacent fluorescence energies, we tested the most challenging situation, when Pt is present in very low concentrations in gold. Data obtained by double-dispersive XRF (D2XRF) and μXRF for fourth–ninth-century mosaics decorating nine Eastern and Western religious buildings show that the Eastern and Western tesserae are made from different alloys.
However, these alloys are identical to those used to make gold leaf for gilding, because plastic deformation requires the use of gold alloys with high ductility and malleability. Although trace element composition of gold used in the concerned period is only available for coins, by comparing the amounts of Pt contained in the tesserae and in the coins we show that Roman tesserae are made from Roman gold, as described in the documentary sources. We observe for the Byzantine period the use of a Byzantine gold and of gold supposedly from different stages of recycling, and we suggest the use of Umayyad and Abbasid gold for the production of Islamic tesserae.
KW - Gold
KW - XRF
KW - Synchrotron
KW - BAMline
KW - D2XRF
KW - Tesserae
PY - 2023
DO - https://doi.org/10.1140/epjp/s13360-022-03638-y
SN - 2190-5444
VL - 138
IS - 2
SP - 1
EP - 15
AN - OPUS4-57208
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Getting more efficient – The use of Bayesian optimization and Gaussian processes at the BAMline
N2 - For more than 20 years, BAM is operating the BAMline at the synchrotron BESSY II in Berlin Adlershof. During this time, the complexity of the setup and the amount of data generated have multiplied. To increase the effectiveness and in preparation for BESSY III, algorithms from the field of machine learning are increasingly used.
In this paper, several examples in the areas of beamline alignment and measurement time optimization based on Bayesian optimization (BO) with Gaussian processes (GP) are presented. BO is a method for finding the global optimum of a function using a probabilistic model represented by a GP. The advantage of this method is that it can handle high-dimensional problems, does not depend on the initial estimate, and also provides uncertainty estimates.
After a short introduction to BO and GP, the first example is the automatic alignment of our double multilayer monochromator (DMM). To achieve optimal performance, up to three linear and two angular motor positions have to be optimized. To achieve this with a grid scan, at least 100^5 measurement points would be required. Assuming that all positions can be aligned independently, 100*5 points are still necessary. We show that with BO and GP less than 100 points are sufficient to achieve equal or better results.
The second example is the optimization of measurement time in XRF scanning. Here we will show the advantage of the BO GP approach over point-by-point scanning. As can be seen in Fig. 1, the number of points required and thus the measurement time can be reduced by a factor of 50, while the loss in image quality is acceptable. The advantages and limitations of this approach will be discussed.
T2 - European Conference on X-ray Spectrometry 2022
CY - Bruges, Belgium
DA - 26.06.2022
KW - Artificial Inelligence
KW - Machine Learning
KW - Bayesian Statistics
KW - Gaussian process
KW - Neural network
KW - BAMline
KW - Synchrotron
PY - 2022
AN - OPUS4-56251
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Von Ägypten bis Hiddensee Analyse von Gold mit Synchrotronstrahlung III
N2 - Gold ist eines der sieben schon im Altertum bekannten Metalle und wurde wg. seines Glanzes und seiner Seltenheit von alters her als Tauschmittel und zur Herstellung von Schmuck benutzt. Außerdem ist es einfach bearbeitbar und weitestgehend gegen chemische Einflüsse resistent. Die Untersuchungen von Gold mit synchrotronstrahlungsangeregter Röntgenfluoreszenzanalyse sind zerstörungsfrei und geben Auskunft über die in der untersuchten Probe vorhandenen chemischen Elemente. Bei den hier vorgestellten Untersuchungen an der BAMline stehen Fragestellungen wie Herkunft, Herstellungsverfahren und Zusammengehörigkeit von Goldfunden im Vordergrund. Die verschiedenen Fragestellungen werden an einer Reihe von Beispielen erläutert die vom Wikingerschatz aus Hiddensee über die Himmelsscheibe von Nebra bis hin zu Funden aus Ägypten langen. Der Fund von Bernstorf wird ausführlich diskutiert.
T2 - Vorlesung FU Berlin Einführung in die Archäometrie
CY - Berlin, Germany
DA - 06.11.2020
KW - Synchrotron
KW - BAMline
KW - XRF
KW - Gold
KW - Archäometrie
PY - 2020
AN - OPUS4-51893
LA - deu
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kunkel, Benny
A1 - Seeburg, Dominik
A1 - Kabelitz, Anke
A1 - Witte, Steffen
A1 - Gutmann, Torsten
A1 - Breitzke, Hergen
A1 - Buntkowsky, Gerd
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Wohlrab, Sebastian
T1 - Highly productive V/Zn-SiO2 catalysts for the selective oxidation of methane
N2 - The production of formaldehyde on industrial scale requires huge amounts of energy due to the involvement of reforming processes in combination with the demand in the megaton scale. Hence, a direct route for the transformation of (bio)methane to formaldehyde would decrease costs and puts less pressure on the environment. Herein, we report on the use of zinc modified silicas as possible support materials for vanadium catalysts and the resulting consequences for the performance in the selective oxidation of methane to formaldehyde. After optimization of the Zn content and reaction conditions, a remarkably high space-time yield of 12.4 kgCH2O⋅kgcat − 1 ⋅h− 1 was achieved. As a result of the extensive characterization by means of UV–vis, Raman, XANES and NMR spectroscopy it was found that vanadium is in the vicinity of highly dispersed zinc atoms which promote the formation of active vanadium species as supposed by theoretical calculations. This work presents a further step of catalyst development towards direct industrial methane conversion which may help to overcome current limitations in the future.
KW - Catalysis
KW - XANES
KW - Selective oxidation
PY - 2024
DO - https://doi.org/10.1016/j.cattod.2024.114643
SN - 0920-5861
VL - 432
SP - 1
EP - 13
PB - Elsevier B.V.
AN - OPUS4-60137
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Pessanha, Sofia
A1 - Fortes, António
A1 - Lopes, Marta B.
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Ortega-Feliu, Inés
A1 - Respaldiza, Miguel A.
A1 - Gomez Tubio, Blanca
A1 - Makarova, Anna
A1 - Smirnov, Dmitry
A1 - Kumar, Sourabh
A1 - Mata, António
A1 - Silveira, João
T1 - Multi-technique computational assessment of fluoride uptake in enamel using PIGE, NEXAFS, and Raman spectroscopy
N2 - This study explores F incorporation in enamel via PIGE, NEXAFS, and Raman spectroscopy, integrating experimental/simulated spectra. Machine Learning boosts data interpretation, offering key insights into F delivery for clinical application.
KW - Simulations
KW - Enamel
KW - Fuorine
KW - NEXAFS
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-631138
DO - https://doi.org/10.1039/D5TB00213C
SN - 2050-750X
SP - 1
EP - 10
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-63113
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Decoding the Elemental Fingerprints of Ancient Gold: A Synchrotron-based Approach
N2 - This contribution focuses on the application of synchrotron radiation X-ray fluorescence (SR XRF) for the analysis of ancient gold objects at the BAMline, showcasing several noteworthy examples. One prominent artifact is the Sky Disc of Nebra, which presented a relatively straightforward question to be addressed: Do the gold inlays belong together, and can we glean insights about their origin? In contrast, the analysis of the Bernstorf gold, an alleged Bronze Age treasure composed of exceptionally pure gold, posed a more intricate challenge. The debate surrounding its authenticity prompted an in-depth investigation utilizing SR XRF with different experimental conditions. This approach, involving the analysis of trace elements, played a pivotal role in elucidating the nature and age of the gold, offering valuable insights into its production Platinum emerges as a crucial trace element for gold analysis, given its typically low concentration in gold artifacts, often in the range of a few parts per million (ppm). Accurately measuring Platinum in the presence of overlapping emission lines from gold is arduous. To overcome this challenge, BAMline developed a wavelength dispersive set-up known as D2XRF, employing a pixelated energy-dispersive X-ray detector (pnCCD). This innovative approach enables the resolution of overlapping emission lines, leading to a remarkable detection limit of 1 ppm for Platinum in gold samples. Furthermore, the application of the pnCCD for imaging element distributions on a Phoenician ivory artifact will be showcased. This technique allows for the visualization and mapping of various elements, which opens the possibility to reconstruct the original appearance. The comprehensive analysis of ancient gold artifacts at BAMline has provided valuable insights into the craftsmanship, trade, and technological advancements of ancient civilizations. By unraveling the complex stories these artifacts carry, our studies contributed significantly to the fields of archaeology, history, and materials science. It underscores the importance of interdisciplinary approaches in piecing together the puzzle of human history, revealing the interconnectedness of cultures through the lens of non-destructive analysis.
T2 - Denver X-ray Conference 2024
CY - Denver, CO, USA
DA - 04.08.2024
KW - Gold
KW - Synchrotron
KW - XRF
KW - BAMline
PY - 2024
AN - OPUS4-61701
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Leidigkeit, Carolin
A1 - Shokr, Mohammad
A1 - Tosson, Amir
A1 - Cakir, Cafer Tufan
A1 - Radtke, Martin
A1 - Pietsch, Ullrich
A1 - Christ, Hans-Jürgen
T1 - Using Energy-Dispersive Laue Diffraction to Study Dislocation Arrangements in Materials Showing Wavy and Planar Slip Behavior
N2 - The present work shows an approach to monitor the evolution of the dislocation arrangement of a metallic material caused by cyclic plastic strain using white X-ray radiation in combination with an energy-dispersive detector. The method is demonstrated by single-shot experiments performed on polycrystalline nickel and α-brass, representing the pure wavy and the pure planar dislocation slip behavior. To correlate the resulting diffraction patterns with various dislocation arrangements of both metals, fatigue tests were carried out up to certain numbers of cycles and at predetermined plastic strain amplitudes. The differences in dislocation microstructure and internal stress distributions give rise to an appreciable change in the peak shape of Laue reflections, leading to unique characteristics in the respective diffraction patterns. Nickel reflections are elongated due to the high amount of cell structures leading to bending and misorientation of the lattice, whereas the present stacking faults in α-brass result in powder-like diffraction.
KW - Slip behavior
KW - Energy-Dispersive
KW - Laue Diffraction
KW - Dislocation
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-637964
DO - https://doi.org/10.1111/ffe.14535
SN - 1460-2695
VL - 48
IS - 3
SP - 1341
EP - 1351
PB - Wiley
AN - OPUS4-63796
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - THES
A1 - Cakir, Cafer Tufan
T1 - Optimization of depth resolved X-ray absorption spectroscopy in grazing emission mode for characterizing compositionally complex alloys
N2 - Layered materials are fundamental to technological advancements, offering distinct properties that differentiate them from bulk materials. In electronics, for instance, thin-film transistors (TFTs) are used to enhance charge transport and flexibility, thereby improving device performance. In the same way, thin-film photovoltaic devices used in renewable energy use strategic layering to absorb light more efficiently and separate electron-hole pairs more effectively, which leads to higher energy conversion efficiency. In recent decades, the development of new alloys has highlighted the importance of layered materials in another context. Compositionally complex alloys, for example, form multiple oxide layers on their surfaces when they oxidize. Studying these corrosion layers is crucial for understanding material-environment interactions.
Typical surface analysis techniques, including X-ray photoelectron spectroscopy (XPS), secondary ion mass spectrometry (SIMS), and Meitner-Auger electron spectroscopy (MAES), provide valuable insights but are constrained by their requirements for high Vacuum conditions and their limited depth analysis. In contrast, X-ray absorption near-edge structure (XANES) spectroscopy presents a versatile and advantageous alternative. It operates effectively under ambient conditions and allows time-resolved measurements, enhancing the analysis of materials in real-time as they undergo structural and compositional changes. This adaptability broadens the scope for material analysis, allowing for a more comprehensive understanding of dynamic processes.
Grazing Emission X-ray Fluorescence (GEXRF) spectroscopy stands out as a nondestructive, depth-resolved, element-specific characterization technique important for collecting depth-resolved information at the nanometer scale. Its ability to collect in-Depth resolved information based on the grazing emission angle of the fluorescence Radiation makes it ideal for investigating thin films, corrosion layers, and interfaces within layered materials. The integration of XANES in emission mode with GEXRF enables detailed exploration of the chemical states of the analyzed atom and provides depth-resolved information. This study discusses grazing emission X-ray absorption near-edge structure spectroscopy (GEXANES), a novel layer analysis technique that is created by integrating these two methods.
This study also innovatively combines machine learning with GEXANES spectroscopy to reduce experimental times. By using active learning, a subset of machine learning, it refines the data acquisition process, enabling more efficient and streamlined methods. The application of active learning in this context illustrates the potential of data-driven approaches to transform experimental methodologies, particularly in resource-limited environments such as synchrotron facilities, thereby accelerating scientific research and discovery.
KW - Angle resolved XRF
KW - GEXRF
KW - BO
KW - Active Learning
KW - XRF
PY - 2025
DO - https://doi.org/10.34726/hss.2025.101302
SP - 1
EP - 129
CY - Technische Univeristät Wien
AN - OPUS4-63793
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - ChatGPT and EPICS: LLM-Enhanced Control Systems for Synchrotron Beamlines
N2 - The BAMline at BESSY II represents a hard X-ray spectroscopy facility enabling non-destructive analysis across diverse research areas like materials science, chemistry, biology, and cultural heritage studies. As a multipurpose beamline serving users from various disciplines, it underscores the necessity of adaptable and efficient control systems to maximize beamline utilization and scientific output.
In this contribution, we detail the innovative integration of ChatGPT , OpenAI’s state-of-the-art Large Language Model (LLM), with the Experimental Physics and Industrial Control System (EPICS) which underpins the operational framework of the BAMline. This integration leverages the advanced natural language processing (NLP) capabilities of ChatGPT, presenting a revolutionary approach to beamline control that markedly simplifies user interaction. Through this, we facilitate a user-friendly pathway to executing complex experimental setups, eliminating the barrier imposed by conventional scripting languages and the often-challenging graphical user interfaces. This innovation promises to significantly streamline experimental workflows, thereby enhancing the efficiency of scientific research conducted at the beamline.
Further enhancing this user-centric approach, we introduce an advanced graphical user interface (GUI) application. This novel application seamlessly melds the LLM’s NLP capabilities with EPICS, thereby enabling researchers to articulate experimental requirements through simple textual or voice commands. This interface interprets these commands to manipulate various beamline components, including but not limited to the Double Crystal Monochromator (DCM), Double Multilayer Monochromator (DMM), as well as various filters and slits. By parsing user input, extracting pertinent parameters, and generating a structured JSON object that reflects the desired device positions and experimental settings, the GUI application bridges the gap between complex control commands and intuitive user interactions. This advancement not only lowers the entry threshold for new users but also streamlines the operational workflow for experienced researchers.
Looking ahead, we aim to extend the system to cover the entire experimental cycle, from setup to data analysis. Using LLMs, one could translate plain-language experiment descriptions into precise operational commands, revolutionizing the research process and making advanced scientific exploration more accessible to a wider community.
T2 - European X-ray Spectrometry Conference
CY - Athens, Greece
DA - 24.06.2024
KW - EPICS
KW - ChatGPT
KW - BAMline
KW - Synchrotron
PY - 2024
AN - OPUS4-61702
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Vergangenheit verifiziert: Datierung und Authentizität mittels Bayes’scher Methoden
N2 - In der Archäologie ist die präzise Datierung von Funden und die Verifikation ihrer Authentizität von entscheidender Bedeutung, um Erkenntnisse über vergangene Zivilisationen zu gewinnen. Während traditionelle Methoden wie die Radiokarbon-Datierung bereits seit Jahrzehnten etabliert sind, hat die Anwendung der Bayes’schen Statistik in den letzten Jahren an Bedeutung gewonnen. Dieser Ansatz erlaubt es, vorhandene Unsicherheiten in archäologischen Daten systematisch zu berücksichtigen und bietet somit eine leistungsfähige Ergänzung zu herkömmlichen Methoden.
Die Bayes’sche Theorie basiert auf der Aktualisierung von Wahrscheinlichkeiten anhand neuer Daten. Dies ist besonders nützlich in der Archäologie, wo neue Funde oft bestehende Theorien und Annahmen in Frage stellen. Durch die Kombination von Prior-Wissen mit neuen Daten ermöglicht die Bayes'sche Methode eine adaptive und flexible Datierung und Verifizierung.
Ein Beispiel für die Anwendung dieser Methode ist die Radiokarbon-Datierung. Während die traditionelle Radiokarbon-Datierung einen geschätzten Zeitraum bietet, kann die Bayes'sche Analyse dazu verwendet werden, die Unsicherheit dieses Zeitraums zu quantifizieren und zu verfeinern. Dies ist besonders wertvoll bei der Datierung von Artefakten aus Zeiträumen, in denen mehrere historische Ereignisse stattfanden.
Zudem ist die Bayes'sche Methode auch bei der Überprüfung der Authentizität von Funden nützlich. Durch die Kombination verschiedener Datenquellen, wie z.B. Inschriften, Materialanalysen und Kontextinformationen, können Archäologen die Wahrscheinlichkeit der Echtheit eines Artefakts bestimmen.
Trotz ihrer Stärken ist die Anwendung der Bayes’schen Statistik in der Archäologie nicht ohne Herausforderungen. Die Wahl der Prior-Wahrscheinlichkeit kann subjektiv sein und die Methode erfordert eine sorgfältige Überlegung und Expertise.
Die Bayes’sche Methode in der Archäologie ein leistungsfähiges Werkzeug, um Datierungen zu verfeinern und die Authentizität von Funden zu überprüfen. Während traditionelle Methoden weiterhin eine zentrale Rolle spielen, ermöglicht der Bayes’sche Ansatz eine nuanciertere und adaptivere Analyse, die das Potential hat, unser Verständnis der Vergangenheit zu vertiefen.
T2 - NAHM workshop
CY - Bonn, Germany
DA - 18.10.2023
KW - Bayes
KW - Bernstorf
KW - Gold
KW - Datierung
KW - Herkunft
KW - Suchtheorie
PY - 2024
AN - OPUS4-61705
LA - deu
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - ChatGPT and EPICS: LLM-Enhanced Control Systems for Synchrotron Beamlines
N2 - The BAMlineat BESSY II represents a hard X-ray spectroscopy facility enabling non-destructive analysis across diverse research areas like materials science, chemistry, biology, and cultural heritage studies. As a multipurpose beamline serving users from various disciplines, it underscores the necessity of adaptable and efficient control systems to maximize beamline utilization and scientific output.
In this contribution, we detail the innovative integration of ChatGPT, OpenAI’s state-of-the-art Large Language Model (LLM), with the Experimental Physics and Industrial Control System (EPICS) which underpins the operational framework of the BAMline. This integration leverages the advanced natural language processing (NLP) capabilities of ChatGPT, presenting a revolutionary approach to beamline control that markedly simplifies user interaction. Through this, we facilitate a user-friendly pathway to executing complex experimental setups, eliminating the barrier imposed by conventional scripting languages and the often-challenging graphical user interfaces. This innovation promises to significantly streamline experimental workflows, thereby enhancing the efficiency of scientific research conducted at the beamline.
Further enhancing this user-centric approach, we introduce an advanced graphical user interface (GUI) application. This novel application seamlessly melds the LLM’s NLP capabilities with EPICS, thereby enabling researchers to articulate experimental requirements through simple textual or voice commands. This interface interprets these commands to manipulate various beamline components, including but not limited to the Double Crystal Monochromator (DCM), Double Multilayer Monochromator (DMM), as well as various filters and slits. By parsing user input, extracting pertinent parameters, and generating a structured JSON object that reflects the desired device positions and experimental settings, the GUI application bridges the gap between complex control commands and intuitive user interactions. This advancement not only lowers the entry threshold for new users but also streamlines the operational workflow for experienced researchers.
Looking ahead, we aim to extend the system to cover the entire experimental cycle, from setup to data analysis. Using LLMs, one could translate plain-language experiment descriptions into precise operational commands, revolutionizing the research process and making advanced scientific exploration more accessible to a wider community.
T2 - International Conference on Synchrotron Radiation Instrumentation (SRI)
CY - Hamburg, Germany
DA - 26.08.2024
KW - Chatgpt
KW - EPICS
KW - BAMline
KW - Synchrotron
PY - 2024
AN - OPUS4-61700
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Reifschneider, O.
A1 - Vennemann, A.
A1 - Buzanich, Günter
A1 - Radtke, Martin
A1 - Reinholz, Uwe
A1 - Riesemeier, Heinrich
A1 - Hogeback, J
A1 - Köppen, C.
A1 - Großgarten, M.
A1 - Sperling, M.
A1 - Wiemann, M.
A1 - Karst, U.
T1 - Revealing Silver Nanoparticle Uptake by Macrophages Using SR-μXRF and LA-ICP-MS
N2 - To better study the impact of nanoparticles on both in vitro and in vivo models, tissue distribution and cellular doses need to be described more closely. Here silver nanoparticles were visualized in alveolar macrophages by means of synchrotron radiation micro X-ray fluorescence spectroscopy (SR-μXRF) with high spatial resolution of 3 × 3 μm2. For the spatial allocation of silver signals to cells and tissue structures, additional elemental labeling was carried out by staining with eosin, which binds to protein and can be detected as bromine signal with SR-μXRF. The method was compatible with immunostaining of macrophage antigens. We found that the silver distribution obtained with SR-μXRF was largely congruent with distribution maps from a subsequent laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) of the same tissue sites. The study shows a predominant, though not exclusive uptake of silver into alveolar macrophages in the rat lung, which can be modeled by a similar uptake in cultured alveolar macrophages. Advantages and limitations of the different strategies for measuring nanoparticle uptake at the single cell level are discussed.
KW - Synchrotron
KW - BAMline
KW - XRF
KW - Nanoparticle
KW - Macrophagen
PY - 2020
DO - https://doi.org/10.1021/acs.chemrestox.9b00507
VL - 33
IS - 5
SP - 1250
EP - 1255
PB - American Chemical Society
AN - OPUS4-50855
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - de Oliveira Guilherme Buzanich, Ana
T1 - Exploring new materials for Green Intelligent Building how can our BAMline help
N2 - With increasing demand and environmental concerns, researchers are exploring new materials that can perform as well or better than traditional materials while reducing environmental impact. Synchrotron X-ray based methods enable unique tools to probe materials properties via e.g. X-ray spectroscopy and diffraction methods. The BAM plays a central role in this highly collaborative research. The BAMline, a real-life sample materials research beamline, at the Berlin Synchrotron BESSY-II, provides unique insights into materials’ electronic and chemical structure at different time and length scales1. This enables real-time optimization of material properties and performance for various applications, such as energy storage and conversion, catalysis, and deterioration resistance.
T2 - DAfStb-Kolloquium
CY - Berlin, Germany
DA - 16.10.2024
KW - XAS
KW - Time-resolved studies
KW - Binding materials
KW - Cements
PY - 2024
AN - OPUS4-61616
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - de Oliveira Guilherme Buzanich, Ana
T1 - Time resolved in situ monitoring of mechanochemical transformations by X-ray absorption spectroscopy (XAS)
N2 - Mechanochemical reactions promise a new direction for environmentally benign preparation of materials, and has been dubbed by IUPAC as one of the 10 chemical innovations that will change our world. Despite this significant promise, very little is known about the mechanisms that drive mechanochemical transformations, posing significant barriers to realizing their full potential. To this end, there is growing need to follow mechanochemical reactions in situ and in real time. We here describe advances in the development and application of XAS methods to monitor material synthesis in real time under mechanochemical conditions. We demonstrate the generality of our approaches by describing mechanochemical syntheses of materials by both vibratory ball milling and by Resonant Acoustic Mixing (RAM), where a time resolution of 1 second is for a whole XAS spectrum was achieved. Moreover, we describe how spectroscopic methods can be coupled to diffraction-based approaches, thereby providing new dimensions in understanding mechanochemical synthesis.
T2 - European Conference on X-ray Spectrometry 2022
CY - Bruges, Belgium
DA - 27.06.2022
KW - XAS
KW - Mechanochemictry
KW - Time resolved
KW - In situ
PY - 2022
AN - OPUS4-56258
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Artificial intelligence for spectroscopy examples from BAMline
N2 - Various applications for artificial intelligence in the context of spectroscopy will be presented. in particular, examples from bamline will be featured. After a short introduction to synchrotron radiation, artificial intelligence algorithms for the quantification of X-ray fluorescence measurement are discussed. In the second example, information retrieval by natural language processing is reviewed. As a last example the reconstruction of measurements with the X-ray color camera and coded apertures is presented.
T2 - Seminar Strahlenphysikalische Anwendungen in Technik und Medizin
CY - ATi Wien, Austria
DA - 22.01.2020
KW - Machine learning
KW - Natural language processing
KW - Neural networks
KW - Synchrotron
KW - BAMline
PY - 2020
AN - OPUS4-51891
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - Getting more efficient – The use of Bayesian optimization and Gaussian processes at the BAMline
N2 - The BAMline, a beamline for material science research at BESSY II, has been operated by the Bundesanstalt für Materialforschung und -prüfung for over two decades. In the last few years, Bayesian optimization (BO) with Gaussian processes (GP) has been introduced as a transformative method in this setting. This contribution highlights the integration and impact of BO and GP in refining BAMline operations.
We will explore the impact of integrating Bayesian methods, especially when combined with Gaussian processes, on the operational efficiency of the BAMline. Our discussion commences with an overview of the fundamental concepts of active learning and optimization. This is followed by an in-depth analysis of specific case studies, drawing on our direct experience with these innovative methods.
For this our focus is on three key applications:
Alignment of Optical Elements (DCM and DMM): The implementation of
Bayesian optimization using Gaussian processes has revolutionized the
alignment process for the Double Crystal Monochromator (DCM) and the
Double Multilayer Monochromator (DMM). This approach greatly reduced
manual effort and enhanced the efficiency and effectiveness of the
alignment procedure.
Optimal Spot Selection for Spatial Mapping in XRF Studies: In X-ray
fluorescence (XRF) experiments, determining the most informative
sampling spots is crucial. The introduction of BO, informed by GP,
has significantly improved the selection process, especially in large
or heterogeneous samples. This methodology ensures maximum
information gain, optimizing the balance between comprehensive
mapping and resource management.
Selection of Optimal Energies for XANES Measurements in GEXANES
Geometry: In the specific context of X-ray Absorption Near Edge
Structure (XANES) studies using Grazing Exit (GEXANES) geometry, the
Bayesian approach with Gaussian processes is now utilized to identify
the most effective energy settings. This results in detailed spectral
data acquired in a much shorter time.
We also address challenges and limitations encountered during implementation. Additionally, the versatility of this approach in addressing a range of different research questions will be demonstrated.
T2 - Machine Learning Conference for X-Ray and Neutron-Based Experiments
CY - Garching bei München, Germany
DA - 08.04.2024
KW - BAMline
KW - Synchrotron
KW - XRF
KW - Bayes
PY - 2024
AN - OPUS4-61703
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Radtke, Martin
T1 - BAMline@BESSY2 - Advanced Techniques and Applications
N2 - Synchrotron radiation sources offer a wide range of possibilities in materials research due to their unique properties in terms of intensity, polarization and adjustability. A basic introduction about the creation and special properties of synchrotron radiation will be given. Examples of current work at BAMline, the high-energy measuring facility of the Federal Institute for Materials Research and Testing at the synchrotron BESSY, are used to illustrate the possibilities and limitations of existing measuring methods.”
T2 - GDCH Kolloquium
CY - Clausthal-Zellerfeld, Germany
DA - 17.11.2022
KW - Synchrotron
KW - BAMline
KW - XRF
KW - XANES
PY - 2022
AN - OPUS4-61706
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -