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 - JOUR
A1 - de Oliveira Guilherme Buzanich, Ana
T1 - Recent developments of X-ray absorption spectroscopy as analytical tool for biological and biomedical applications
N2 - X-ray absorption spectroscopy (XAS), in its various modalities, has gained exponential attention and applicability in the field of biological and biomedical systems. Particularly in this field, challenges like low concentration of analyte or proneness to radiation damage have certainly settle the basis for further analytical developments, when using X-ray based methods. Low concentration calls for higher sensitivity—by increasing the detection limits (DL); while susceptibility for radiation damage requires shorter measurement times and/or cryogenic sample environment possibilities. This manuscript reviews the latest analytical possibilities that make XAS more and more adequate to investigate biological or biomedical systems in the last 5 years.
KW - Biological & biomedical applications
KW - TXRF-XAS
KW - HERFD-XAS
KW - RXES
KW - Quick-XAS
KW - Dispersive-XAS
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-531206
DO - https://doi.org/10.1002/xrs.3254
SN - 0049-8246
VL - 51
IS - 3
SP - 1
EP - 10
PB - John Wiley & Sons Ltd
AN - OPUS4-53120
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - de O. Primo, J.
A1 - Horsth, D.F.
A1 - de S. Correa, J.
A1 - Das, A.
A1 - Bittencourt, C.
A1 - Umek, P.
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Radtke, Martin
A1 - Yusenko, Kirill
A1 - Zanetta, C.
A1 - Anaissi, F.J.
T1 - Synthesis and Characterization of Ag/ZnO Nanoparticles for Bacteria Disinfection in Water
N2 - n this study, two green synthesis routes were used for the synthesis of Ag/ZnO nanoparticles, using cassava starch as a simple and low-cost effective fuel and Aloe vera as a reducing and stabilizing agent. The Ag/ZnO nanoparticles were characterized and used for bacterial dis-
infection of lake water contaminated with Escherichia coli (E. coli). Characterization indicated the formation of a face-centered cubic structure of metallic silver nanoparticles with no insertion of Ag into the ZnO hexagonal wurtzite structure. Physicochemical and bacteriological analyses described in “Standard Methods for the Examination of Water and Wastewater” were used to evaluate the efficiency of the treatment. In comparison to pure ZnO, the synthesized Ag/ZnO nanoparticles showed high efficiencies against Escherichia coli (E. coli) and general coliforms present in the lake
water. These pathogens were absent after treatment using Ag/ZnO nanoparticles. The results indicate that Ag/ZnO nanoparticles synthesized via green chemistry are a promising candidate for the treatment of wastewaters contaminated by bacteria, due to their facile preparation, low-cost synthesis,and disinfection efficiency.
KW - Synchrotron
KW - BAMline
PY - 2022
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-562440
DO - https://doi.org/10.3390/nano12101764
SN - 2079-4991
VL - 12
IS - 10
SP - 1
EP - 18
PB - MDPI
CY - Basel
AN - OPUS4-56244
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Davison, Nathan
A1 - Hemingway, Jack M.
A1 - Wills, Corinne
A1 - Stolar, Tomislav
A1 - Waddell, Paul G.
A1 - Dixon, Casey M.
A1 - Barron, Luke
A1 - Dawson, James A.
A1 - Lu, Erli
T1 - Mechanochemical Synthesis of a Sodium Anion Complex [Na+(2,2,2-cryptand)Na–] and Studies of Its Reactivity: Two-Electron and One-Electron Reductions
N2 - Group 1 metal molecular chemistry is dominated by a +1 oxidation state, while a 0 oxidation state is widespread in the metals. A more exotic, yet still available, oxidation state of group 1 metal is −1, i.e., alkalide. Reported as early as the 1970s, the alkalides appear in every modern inorganic chemistry textbook as an iconic chemical curiosity, yet their reactivity remains unexplored. This is due to their synthetic hurdles. In this work, we report the first facile synthesis of the archetypical alkalide complex, [Na+(2,2,2-cryptand)Na–], which allows us to unveil a versatile reactivity profile of this once exotic species.
KW - Mechanochemistry
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608632
DO - https://doi.org/10.1021/acs.inorgchem.4c02914
VL - 63
IS - 32
SP - 15247
EP - 15258
PB - American Chemical Society (ACS)
AN - OPUS4-60863
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Das, Prasenjit
A1 - Chakraborty, Gouri
A1 - Yang, Jin
A1 - Roeser, Jérôme
A1 - Küçükkeçeci, Hüseyin
A1 - Nguyen, Anh Dung
A1 - Schwarze, Michael
A1 - Gabriel, Jose
A1 - Penschke, Christopher
A1 - Du, Shengjun
A1 - Weigelt, Vincent
A1 - Khalil, Islam E.
A1 - Schmidt, Johannes
A1 - Saalfrank, Peter
A1 - Oschatz, Martin
A1 - Rabeah, Jabor
A1 - Schomäcker, Reinhard
A1 - Emmerling, Franziska
A1 - Thomas, Arne
T1 - The Effect of Pore Functionality in Multicomponent Covalent Organic Frameworks on Stable Long‐Term Photocatalytic H2 Production
N2 - AbstractIn nature, organic molecules play a vital role in light harvesting and photosynthesis. However, regarding artificial water splitting, the research focus is primarily on inorganic semiconductors. Although organic photocatalysts have high structural variability, they tend to exhibit lower quantum efficiencies for water splitting than their inorganic counterparts. Multicomponent reactions (MCRs) offer an attractive route to introduce different functional units into covalent organic frameworks (COFs) and enable semiconducting properties and high chemical stability, creating promising materials for long‐term photocatalytic applications, such as H2 production. Herein, five highly crystalline donor‐acceptor based, 4‐substituted quinoline‐linked MCR‐COFs are presented that are prepared via the three‐component Povarov reaction. The pore functionality is varied by applying different vinyl derivatives (e.g., styrene, 2‐vinyl pyridine, 4‐vinylpyridine, 4‐vinyl imidazole, 2,3,4,5,6‐pentafluorostyrene), which has a strong influence on the obtained photocatalytic activity. Especially an imidazole‐functionalized COF displays promising photocatalytic performance due to its high surface area, crystallinity, and wettability. These properties enable it to maintain its photocatalytic activity even in a membrane support. Furthermore, such MCR‐COFs display dramatically enhanced (photo)chemical stability even after long‐term solar light irradiation and exhibit a high and steady H2 evolution for at least 15 days.
KW - Sstability
KW - Covalent organic frameworks
KW - Pore functionality
KW - Long-term H2 production
KW - Multicomponent reactions
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-639787
DO - https://doi.org/10.1002/aenm.202501193
SN - 1614-6832
SP - 1
EP - 10
PB - Wiley VHC-Verlag
AN - OPUS4-63978
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Das, Prasenjit
A1 - Chakraborty, Gouri
A1 - Friese, Nico
A1 - Roeser, Jérôme
A1 - Prinz, Carsten
A1 - Emmerling, Franziska
A1 - Schmidt, Johannes
A1 - Thomas, Arne
T1 - Heteropolyaromatic Covalent Organic Frameworks via One-Pot Multicomponent Reactions
N2 - Multicomponent reactions (MCRs) offer a platform to create different chemical structures and linkages for highly stable covalent organic frameworks (COFs). As an illustrative example, the multicomponent Povarov reaction generates 2,4-phenylquinoline from aldehydes and amines in the presence of electron-rich alkenes. In this study, we introduce a new domino reaction to generate unprecedented 2,3-phenylquinoline COFs in the presence of epoxystyrene. This work thus presents, for the first time, structural isomeric COFs produced by multicomponent domino and Povarov reactions. Furthermore, 2,3-phenylquinolines can undergo a Scholl reaction to form extended aromatic linkages. With this approach, we synthesize two thermally and chemically stable MCR-COFs and two heteropolyaromatic COFs using both domino and in situ domino and Scholl reactions. The structure and properties of these COFs are compared with the corresponding 2,4-phenylquinoline-linked COF and imine-COF, and their activity toward benzene and cyclohexane sorption and separation is investigated. The position of the pendant phenyl groups within the COF pore plays a crucial role in facilitating the industrially important sorption and separation of benzene over cyclohexane. This study opens a new avenue to construct heteropolyaromatic COFs via MCR reactions.
KW - COF
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-604038
DO - https://doi.org/10.1021/jacs.4c02551
SP - 1
EP - 9
PB - American Chemical Society (ACS)
AN - OPUS4-60403
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Das, P.
A1 - Chakraborty, Gouri
A1 - Roeser, J.
A1 - Vogl, S.
A1 - Rabeah, J.
A1 - Thomas, A.
T1 - Integrating Bifunctionality and Chemical Stability in Covalent Organic Frameworks via One-Pot Multicomponent Reactions for Solar-Driven H2O2 Production
N2 - Multicomponent reactions (MCRs) can be used to introduce different functionalities into highly stable covalent organic frameworks (COFs). In this work, the irreversible three-component Doebner reaction is utilized to synthesize four chemically stable quinoline-4-carboxylic acid DMCR-COFs (DMCR-1−3 and DMCR-1NH) equipped with an acid−base bifunctionality. These DMCR-COFs show superior photocatalytic H2O2 evolution (one of the most important industrial oxidants) compared to the imine COF analogue (Imine-1). This is achieved with sacrificial oxidants but also in pure water and under an oxygen or air atmosphere. Furthermore, the DMCR-COFs show high photostability, durability, and recyclability. MCR-COFs thus provide a viable materials’ platform for solar to chemical energy conversion.
KW - Reactions
KW - Bifunctionality
KW - Postsynthetic modification
KW - Multicomponent
PY - 2022
DO - https://doi.org/10.1021/jacs.2c11454
SN - 0002-7863
VL - 145
IS - 5
SP - 2975
EP - 2984
PB - ACS Publications
AN - OPUS4-56922
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Das, Chayanika
A1 - Kastania, Eleni
A1 - Witt, Julia
A1 - Özcan Sandikcioglu, Özlem
T1 - Corrosion protection properties of poly(4-vinyl pyridine) containing multilayer polymeric coatings on magnesium alloy AZ31
N2 - The aim of this study is to develop polymeric thin films for corrosion protection of magnesium alloy AZ31. As polymer matrix, poly(4-vinyl pyridine) (P4VP) is selected due to its semiconducting properties and protonic conductivity. Polyacrylic acid is tested as crosslinking layers to improve interfacial adhesion. The macroscopic corrosion properties of the multilayer coatings are investigated by means of electrochemical methods, such as linear sweep voltammetry and electrochemical impedance spectroscopy (EIS), in corrosive media simulating technical and biomedical applications. It is demonstrated that thin multilayer coatings can suppress the corrosion rates of magnesium alloys. To our best knowledge, this is the first demonstration of the use of P4VP as a conducting polymer film with protonic conductivity for corrosion protection of magnesium alloys.
KW - Multilayercoatings
KW - AZ31
KW - Corrosion protection
KW - Intrinsically conducting polymers
KW - Magnesium alloys
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-551799
DO - https://doi.org/10.1002/maco.202112708
SN - 0947-5117
VL - 73
IS - 3
SP - 427
EP - 435
PB - Wiley VHC-Verlag
AN - OPUS4-55179
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Darvishi Kamachali, Reza
A1 - Wallis, Theophilus
A1 - Ikeda, Yuki
A1 - Saikia, U.
A1 - Ahmadian, A.
A1 - Liebscher, C.
A1 - Hickel, Tilmann
A1 - Maaß, Robert
T1 - Giant segregation transition as origin of liquid metal embrittlement in the Fe-Zn system
N2 - A giant Zn segregation transition is revealed using CALPHAD-integrated density-based modeling of segregation into Fe grain boundaries (GBs). The results show that above a threshold of only a few atomic percent Zn in the alloy, a substantial amount of up to 60 at.% Zn can segregate to the GB. We found that the amount of segregation abruptly increases with decreasing temperature, while the Zn content in the alloy required for triggering the segregation transition decreases. Direct evidence of the Zn segregation transition is obtained using high-resolution scanning transmission electron microscopy. Base on the model, we trace the origin of the segregation transition back to the low cohesive energy of Zn and a miscibility gap in Fe-Zn GB, arising from the magnetic ordering effect, which is confirmed by ab-initio calculations. We also show that the massive Zn segregation resulting from the segregation transition greatly assists with liquid wetting and reduces the work of separation along the GB. The current predictions suggest that control over Zn segregation, by both alloy design and optimizing the galvanization and welding processes, may offer preventive strategies against liquid metal embrittlement.
KW - CALPHAD
KW - Microstructure Design
KW - Grain boundary engineering
KW - Steels
KW - Density-based Model
KW - Segregation Engineering
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-584292
DO - https://doi.org/10.1016/j.scriptamat.2023.115758
SN - 1359-6462
SN - 1872-8456
VL - 238
SP - 1
EP - 5
PB - Elsevier
CY - Amsterdam
AN - OPUS4-58429
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Dalgic, Mete‐Sungur
A1 - Kumar, Sourabh
A1 - Weidner, Steffen
T1 - Quantitative Analysis of Polymers by MALDI‐TOF Mass Spectrometry: Correlation Between Signal Intensity and Arm Number
N2 - The signal intensities of linear and star‐shaped poly(L‐lactides) (PLA) and poly (ethylene oxides) (PEO) were compared to determine the influence of the number of arms on the ionization in matrix‐assisted laser desorption/ionization time‐of‐flight (MALDI‐TOF) mass spectrometry. In this study, a variety of blends were prepared and investigated, including binary and ternary combinations of linear and star‐shaped polymers with similar molecular masses. The focus was on examining their intensity ratios. In equimolar binary PLA blends, polymer stars were observed to exhibit higher intensities than their linear counterparts. This result was supported by experiments with equimolar ternary PLA blends, which clearly demonstrated an intensity dependence on the number of polymer arms. It was observed that four‐arm PLA exhibited higher intensities than three‐arm PLA. A similar trend was observed in investigations involving acetylated polymer end groups, suggesting that differences in ionization are primarily influenced by polymer architecture rather than end groups. In order to validate this assumption, the binding energies for [polymer‐K] + adduct ions utilizing the most stable geometry obtained from GOAT (Global Optimizer Algorithm) were calculated, revealing that star‐shaped lower mass oligomers have slightly higher binding energies.
KW - MALDI-TOF MS
KW - Starlike polymers
KW - Quantification
KW - Topology
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653401
DO - https://doi.org/10.1002/jms.70023
SN - 1076-5174
VL - 61
IS - 1
SP - 1
EP - 12
PB - John Wiley & Sons Ltd.
AN - OPUS4-65340
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Dalgic, Mete-Sungur
A1 - Weidner, Steffen
T1 - Solvent-free sample preparation for matrix-assisted laserdesorption/ionization time-of-flight mass spectrometry ofpolymer blends
N2 - Solvent-free sample preparation offers some advantages over solvent-based techniques, such as improved accuracy, reproducibility and sensitivity, for matrix-assisted laser desorption/ionization (MALDI) analysis. However, little or no information is available on the application of solvent-free techniques for the MALDI analysis of polymer blends. Solvent-free sample preparation by ball milling was applied with varying sample-to-matrix ratios for MALDI time-of-flight mass spectrometry analysis of various polymers, including polystyrenes, poly(methyl methacrylate)s and poly(ethylene glycol)s. The peak intensity ratios were compared with those obtained after using the conventional dried droplet sample preparation method. In addition, solvent-assisted milling was also applied to improve sample homogeneities.
Depending on the sample preparation method used, different peak intensity ratios were found, showing varying degrees of suppression of the signal intensities of higher mass polymers. Ball milling for up to 30 min was required to achieve constant intensity ratios indicating homogeneous mixtures. The use of wet-assisted grinding to improve the homogeneity of the blends was found to be disadvantageous as it caused partial degradation and mass-dependent segregation of the polymers in the vials.The results clearly show that solvent-free sample preparation must be carefully considered when applied to synthetic polymer blends, as it may cause additional problems with regard to homogeneity and stability of the blends.
KW - MALDI TOF MS
KW - Sample preparation
KW - Polymer blends
KW - Solvent-free
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-598570
DO - https://doi.org/10.1002/rcm.9756
SN - 0951-4198
VL - 38
IS - 12
SP - 1
EP - 9
PB - Wiley online library
AN - OPUS4-59857
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Dalgic, Mete-Sungur
T1 - Lösemittelfreie Probenpräparation zur Untersuchung von Polymerblends mittels MALDI-TOF MS
N2 - Die Probenpräparation ist ein wichtiger Schritt für die Qualität der Massenspektren in MALDI-TOF MS. Es werden Polymerproben, die lösungsmittelbasiert und lösungsmittelfrei präpariert worden sind, verglichen. Dabei werden die Intensitätsverhältnisse von ternären Mischungen von PEG-, PS- und PMMA-Polymeren beachtet.
T2 - 28. Kolloquium - Massenspektrometrische Techniken zur Untersuchung synthetischer Polymere
CY - Berlin, Germany
DA - 14.05.2024
KW - Polymere
KW - Massenspektrometrie
KW - Probenpräparation
PY - 2024
AN - OPUS4-60032
LA - deu
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Dalgic, Mete-Sungur
T1 - Discrimination effects in MALDI-MS of Ternary Polymer Mixtures
N2 - MALDI-TOF MS is a viable method to determine molecular weights of polymers. However, quantification using MALDI-TOF MS presents specific challenges due to intensity biases caused by instrumental and sample-specific parameters. In this presentation, the influence of molar masses on MALDI-TOF mass spectra is explored. The intensities of a ternary PMMA blend with different mixture ratios are depicted in contour plots.
T2 - SALSA Make and Measure 2022
CY - Berlin, Germany
DA - 15.09.2022
KW - MALDI-TOF MS
KW - Ternary polymer blends
KW - PMMA
PY - 2022
AN - OPUS4-62212
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Dalgic, Mete-Sungur
T1 - Einfluss der Konformation auf das Ionisationsverhalten in MALDI-TOF MS
N2 - MALDI-TOF Massenspektrometrie ist eine wichtige Methode zur Bestimmung von Molekulargewichten von Polymeren. Jedoch wird die quantitative Analyse von Polymeren durch verschiedene Faktoren erschwert. In dieser Präsentation wird unter anderem der Einfluss der molaren Massen auf die Massenspektren näher betrachtet. Dabei werden Konturplots von ternären PMMA- und PS-Mischungen gezeigt.
T2 - 27. Kolloquium - Massenspetrometrische von Polymeren
CY - Berlin, Germany
DA - 09.05.2023
KW - MALDI-TOF MS
KW - Ternäre Polymermischungen
KW - PMMA und PS
PY - 2023
AN - OPUS4-62214
LA - deu
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Dal Molin, E. S.
A1 - Henning, L. M.
A1 - Müller, J. T.
A1 - Smales, Glen Jacob
A1 - Pauw, Brian Richard
A1 - Bekheet, M. F.
A1 - Gurlo, A.
A1 - Simon, U.
T1 - Robocasting of ordered mesoporous silica‐based monoliths: Rheological, textural, and mechanical characterization
N2 - Hierarchically porous, high‐surface‐area silica materials are excellent candidates for multiple applications like catalysis and environmental remediation. Shaping these materials with additive manufacturing (AM) techniques, like robocasting, could enable their use with the benefit of on‐demand, customized shaping and maximizing performance. Herein, ordered mesoporous silica COK‐12 slurries were robocasted into monoliths, containing different ratios of uncalcined COK‐12 and sodium bentonite (0–25 wt.%). The rheology of the mixed slurries is characterized by lower flow indexes (0.69 vs. 0.32) and higher yield stresses (96 vs. 259 Pa) compared to pure COK‐12 ones. Monoliths were printed in woodpile structures and calcined at 600°C. Micro‐CT measurements showed a linear shrinkage of 25% after calcination. Mechanical characterization showed increased uniaxial strength (0.20 ± 0.07 to 1.0 ± 0.3 MPa) with increasing binder/solids ratio from 13 to 25%. The amorphous, mesoporous structure of COK‐12 was retained. The structures exhibited open porosities of 52 ± 4% and showed higher specific mesopore volumes, and increased average mesopore size (6 vs. 8 nm) compared to COK‐12. Small‐angle x‐ray scattering analysis revealed an increased lattice parameter (10.3 vs. 11.0 nm) and reduced wall thickness (3.1 nm vs. 4.1 nm) of the COK‐12 in the monoliths. These properties indicate suitability for their application as porous supports and adsorbents.
KW - Industrial and Manufacturing Engineering
KW - Additive manufacturing
KW - OMS
KW - Porous materials
KW - Robocasting
KW - X-ray scattering
KW - MOUSE
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-582503
DO - https://doi.org/10.1002/nano.202300109
VL - 4
IS - 11-12
SP - 615
EP - 631
PB - Wiley-VCH GmbH
AN - OPUS4-58250
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Dailey, L. A.
A1 - Altmann, Korinna
A1 - Ćirković Veličković, Tanja
T1 - Exposition und Detektionstechniken: Der Weg zur Harmonisierung
N2 - Der Vortrag gibt einen Überblick über Erkenntnisse der WG 1 und WG 3 des CUSP Clusters der Horizon Europe Projekte von Mikroplastik (2020-2025). Die Frage ist wie hoch ist die Exposition und ist das dann eine gesundheitliche Gefahr. Diskutiert werden Mechanismen, die helfen richtig und genau zu messen, z.B. Prozesskontrollen oder Referenzmaterialien. Es wird ein Weg zu mehr Harmonisierung im Bereich der Mikroplastik-Analytik aufgezeigt.
T2 - Mikroplastik – Was wissen wir heute? BfR-Forum Verbraucherschutz
CY - Berlin, Germany
DA - 02.12.2025
KW - Microplastics
KW - Reference materials
KW - Harmonisation
PY - 2025
AN - OPUS4-65330
LA - deu
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - da Silva, D.A.
A1 - Greiser, Sebastian
A1 - Contro, J.
A1 - Medeiros, V.L.
A1 - Nery, J.G.
A1 - Jäger, Christian
T1 - 1H, 29Si and 119Sn double and triple resonance NMR spectroscopy of the
small-pore framework sodium stannosilicate Na2SnSi3O9⋅2H2O
N2 - The small-pore framework sodium stannosilicate AV-10, chemical composition Na2SnSi3O9⋅2H2O and known crystallographic structure, was synthesized by hydrothermal crystallization. This stannosilicate is built up of a three-dimensional network of corner-shared SiO4 tetrahedra and SnO6 octahedra. The SnO6 sites are linked to six SiO4 tetrahedra (Sn(6Si)) while each of the two crystallographically different SiO4 units are connected to two SnO6 and SiO4 units (Si(2Si,2Sn)). This material was used as model compound for developing a solid-state MAS NMR strategy aimed on the challenges and possibilities for structural studies, particularly considering the short and medium range order to verify the connectivity of SiO4 and SnO6 of such compounds despite the low natural abundances of 4.68% for 29Si and 8.59% for 119Sn nuclei as a real challenge. 29Si{119Sn} and 119Sn{29Si} REDOR (Rotational-Echo Double-Resonance) NMR measurements after 1H cross-polarization (CP) were carried out. The REDOR curves show a significant change after the “normal” quadratic short time evolution from which both (i) the shortest internuclear 29Si – 119Sn distances (and vice versa) and (ii) the number of corner-sharing SiO4 tetrahedra around the SnO6 octahedra (and vice versa) can be obtained. Based on these data, optimized 29Si {119Sn} and 119Sn{29Si} REPT-HMQC (Recoupled Polarization Transfer-Heteronuclear Multiple-Quantum Correlation, again after 1H CP) experiments were implemented, which directly show those heterogroup connectivity as correlation peaks in a 2D spectrum. This information was also obtained using 2D29Si{119Sn}-J-Coupling NMR experiments. Furthermore, 2D29Si INADEQUATE NMR experiments are also feasible, showing the connectivity of SiO4 tetrahedra. The combination of REDOR, REPT-HMQC, J-Coupling and INADEQUATE experiments yielded a complete analysis of the short and medium range structure of this microporous stannosilicate, in agreement with the previously published structure obtained Ab Initio from powder X-Ray diffraction data (XRD).
KW - Stannosilicates
KW - REDOR
KW - REPT-HMQC
KW - INADEQUATE
PY - 2020
DO - https://doi.org/10.1016/j.ssnmr.2020.101661
SN - 0926-2040
VL - 107
SP - 101661
PB - Elsevier Inc.
AN - OPUS4-50710
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Czuban, M.
A1 - Kulka, M. W.
A1 - Wang, L.
A1 - Koliszak, A.
A1 - Achazi, K.
A1 - Schlaich, C.
A1 - Donskyi, Ievgen
A1 - Di Luca, M.
A1 - Mejia Oneto, J. M.
A1 - Royzen, M.
A1 - Haag, R.
A1 - Trampuz, A.
T1 - Titanium coating with mussel inspired polymer and bio-orthogonal chemistry enhances antimicrobial activity against Staphylococcus aureus
N2 - Implant-associated infections present severe and difficult-to-treat complications after surgery, related to implant biofilm colonization. Systemic administration of antibiotics cannot reach sufficient concentrations at the infected site and may be toxic. Here we describe how mussel-inspired dendritic material coated on a titanium surface can locally activate a prodrug of daptomycin (pro-dapto) to treat methicillin-resistant Staphylococcus aureus. The mechanism of the prodrug activation is based on bio-orthogonal click chemistry between a tetrazine (Tz) and trans-cyclooctene (TCO). The former is attached to the dendritic polymer, while the later converts daptomycin into a prodrug. Characterization of the material's properties revealed that it is hydrophobic, non-toxic, and stable for a prolonged period of time. We envision that the titanium coated dendritic material will be able to improve the treatment of implant-associated infections by concentrating systemically administered antibiotic prodrugs, thus converting them into active localized medicines.
KW - Bio-orthogonal chemistry
KW - Antimicrobial titanium coating
KW - Prodrug antibiotic
KW - Antibiotic delivery
KW - Antibiotic release
KW - XPS
PY - 2020
DO - https://doi.org/10.1016/j.msec.2020.111109
VL - 116
SP - 111109
PB - Elsevier B.V.
AN - OPUS4-51204
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Czerski, Jakub
A1 - Mitoraj-Krolikowska, Marzena
A1 - Godlewska, Elzbieta
A1 - Wetzel, Annica
A1 - Witt, Julia
A1 - Özcan Sandikcioglu, Özlem
A1 - Marzec, Mateusz
A1 - Goly, Marcin
T1 - Corrosion and passivation of AlCrFe2Ni2Mox high-entropy alloys in sulphuric acid
N2 - Corrosion behaviour of AlCrFe2Ni2Mox (x = 0.0, 0.1, 0.15, 0.3 and 0.6) high-entropy alloys was investigated in a 0.1 M H2SO4 solution. Passive films formed upon anodic polarisation, built of Al-based inner layer and (Cr, Fe, Mo)-based outer layer, had good protective properties. In particular, they prevented corrosion of the (Al, Ni)-rich BCC-B2 phase, which was observed under open-circuit conditions. Moderate amounts of Mo, up to x = 0.3, positively affected the passivation ability of AlCrFe2Ni2. Significant changes in microstructure and phase composition of the alloy at higher Mo concentrations (x = 0.6) resulted in deterioration of its corrosion resistance.
KW - EIS
KW - Alloy
KW - Sulphuric acid
KW - AFM
KW - Acid corrosion
KW - Passive films
PY - 2024
DO - https://doi.org/10.1016/j.corsci.2024.111855
SN - 0010-938X
VL - 229
SP - 1
EP - 17
PB - Elsevier Ltd.
AN - OPUS4-59703
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Cubero, A.
A1 - Martínez, E.
A1 - Angurel, L.A.
A1 - de la Fuente, G.F.
A1 - Navarro, R.
A1 - Legall, Herbert
A1 - Krüger, Jörg
A1 - Bonse, Jörn
T1 - Effects of laser-induced periodic surface structures on the superconducting properties of Niobium
N2 - It is well known that the use of ultrashort (fs) pulsed lasers can induce the generation of (quasi-) periodic nanostructures (LIPSS, ripples) on the surface of many materials. Such nanostructures have also been observed in sample’s surfaces irradiated with UV lasers with a pulse duration of 300 ps. In this work, we compare the characteristics of these nanostructures on 1-mm and on 25-μm thick niobium sheets induced by 30 fs n-IR and 300 ps UV pulsed lasers. In addition to conventional continuous or burst mode processing configurations, two-dimensional laser beam and line scanning modes have been investigated in this work. The latter allows the processing of large areas with a more uniform distribution of nanostructures at the surface. The influence of the generated nanostructures on the superconducting properties of niobium has also been explored. For this aim, magnetic hysteresis loops have been measured at different cryogenic temperatures to analyse how these laser treatments affect the flux pinning behaviour and, in consequence, the superconductor’s critical current values. It was observed that laser treatments are able to modify the superconducting properties of niobium samples.
T2 - E-MRS Spring Meeting 2019
CY - Nice, France
DA - 27.05.2019
KW - Superconductivity
KW - Laser-induced periodic surface structures (LIPSS)
KW - Niobium
PY - 2020
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-502541
DO - https://doi.org/10.1016/j.apsusc.2019.145140
SN - 0169-4332
SN - 1873-5584
VL - 508
IS - 1
SP - 145140-1
EP - 145140-7
PB - Elsevier
CY - Amsterdam
AN - OPUS4-50254
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Cubero, A.
A1 - Martínez, E.
A1 - Angurel, L.A.
A1 - de la Fuente, G.F.
A1 - Navarro, R.
A1 - Legall, Herbert
A1 - Krüger, Jörg
A1 - Bonse, Jörn
T1 - Surface superconductivity changes of niobium sheets by femtosecond laser-induced periodic nanostructures
N2 - Irradiation with ultra-short (femtosecond) laser beams enables the generation of sub-wavelength laser-induced periodic surface structures (LIPSS) over large areas with controlled spatial periodicity, orientation, and depths affecting only a material layer on the sub-micrometer scale. This study reports on how fs-laser irradiation of commercially available Nb foil samples affects their superconducting behavior. DC magnetization and AC susceptibility measurements at cryogenic temperatures and with magnetic fields of different amplitude and orientation are thus analyzed and reported. This study pays special attention to the surface superconducting layer that persists above the upper critical magnetic field strength Hc2, and disappears at a higher nucleation field strength Hc3. Characteristic changes were distinguished between the surface properties of the laser-irradiated samples, as compared to the corresponding reference samples (non-irradiated). Clear correlations have been observed between the surface nanostructures and the nucleation field Hc3, which depends on the relative orientation of the magnetic field and the surface patterns developed by the laser irradiation.
KW - Niobium
KW - Surface superconductivity
KW - Laser-induced periodic surface structures (LIPSS)
KW - Nanostructures
PY - 2020
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-518462
DO - https://doi.org/10.3390/nano10122525
SN - 2079-4991
VL - 10(12)
IS - Special issue "Laser-generated periodic nanostructures"
SP - 1
EP - 16
PB - MDPI
CY - Basel
AN - OPUS4-51846
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Crouzier, L.
A1 - Feltin, N.
A1 - Delvallée, A.
A1 - Pellegrino, Francesco
A1 - Maurino, V.
A1 - Cios, Grzegorz
A1 - Tokarski, T.
A1 - Salzmann, Christoph
A1 - Deumer, J.
A1 - Gollwitzer, C.
A1 - Hodoroaba, Vasile-Dan
T1 - Correlative analysis of the dimensional properties of bipyramidal titania nanoparticles by complementing electron microscopy with other methods
N2 - In this paper, the accurate determination of the size and size distribution of bipyramidal anatase nanoparticles (NPs) after deposition as single particles on a silicon substrate by correlative Scanning Electron Microscopy (SEM) with Atomic Force Microscopy (AFM) analysis is described as a new measurement procedure for metrological purposes. The knowledge of the exact orientation of the NPs is a crucial step in extracting the real 3D dimensions of the particles. Two approaches are proposed to determine the geometrical orientation of individual nano‐bipyramides: (i) AFM profiling along the long bipyramid axis and (ii) stage tilting followed by SEM imaging. Furthermore, a recently developed method, Transmission Kikuchi Diffraction (TKD), which needs preparation of the crystalline NPs on electron‐transparent substrates such as TEM grids, has been tested with respect to its capability of identifying the geometrical orientation of the individual NPs. With the NPs prepared homogeneously on a TEM grid, the transmission mode in a SEM, i.e., STEM‐in‐SEM (or T‐SEM), can be also applied to extract accurate projection dimensions of the nanoparticles from the same sample area as that analysed by SEM, TKD and possibly AFM. Finally, Small Angle X‐ray Scattering (SAXS) can be used as an ensemble technique able to measure the NPs in liquid suspension and, with ab‐initio knowledge of the NP shape from the descriptive imaging techniques, to provide traceable NP size distribution and particle concentration.
KW - Nanoparticles
KW - Complex-shape
KW - Bipyramid
KW - Electron microscopy
KW - AFM
KW - Size measurements
KW - TKD
KW - STEM-in-SEM
KW - SAXS
KW - Nanoparticle concentration
KW - Correlative analysis
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-539888
DO - https://doi.org/10.3390/nano11123359
SN - 2079-4991
VL - 11
IS - 12
SP - 1
EP - 19
PB - MDPI
CY - Basel
AN - OPUS4-53988
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Costache, F.
A1 - Valette, S.
A1 - Bonse, Jörn
T1 - Editorial: Special Issue “Dynamics and Processes at Laser-Irradiated Surfaces—A Themed Issue in Honor of the 70th Birthday of Professor Jürgen Reif”
N2 - The Special Issue “Dynamics and Processes at Laser-irradiated Surfaces” is dedicated to the 70th birthday of Jürgen Reif, retired full professor, former Chair of Experimental Physics II of the Faculty of Physics of the Brandenburg University of Technology Cottbus—Senftenberg in Germany.
KW - Laser ablation
KW - Laser-induced periodic surface structures (LIPSS)
KW - Surface functionalization
KW - Femtosecond laser
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-569482
DO - https://doi.org/10.3390/nano13030611
SN - 2079-4991
VL - 13
IS - 3
SP - 1
EP - 3
PB - MDPI
CY - Basel
AN - OPUS4-56948
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Cosimi, Andrea
A1 - Stöbener, Daniel D.
A1 - Nickl, Philip
A1 - Schusterbauer, Robert
A1 - Donskyi, Ievgen
A1 - Weinhart, Marie
T1 - Interfacial nanoengineering of hydrogel surfaces via block copolymer self-assembly
N2 - Synthetic polymer hydrogels are valuable matrices for biotransformations, drug delivery, and soft implants. While the bulk properties of hydrogels depend on chemical composition and network structure, the critical role of interfacial features is often underestimated. This work presents a nanoscale modification of the gel−water interface using polymer brushes via a straightforward “grafting-to” strategy, offering an alternative to more cumbersome “grafting-from” approaches. Functional block copolymers with photoreactive anchor blocks are successfully self-assembled and UV-immobilized on hydrogel substrates despite their low solid content (<30 wt %). This versatile technique works on both bulk- and surface-immobilized hydrogels, demonstrated on poly(hydroxypropyl acrylate), poly(N-isopropylacrylamide), and alginate gels, allowing precise control over grafting density. X-ray photoelectron spectroscopy and time-of-flight secondary ion mass spectrometry revealed a homogeneous bilayered architecture. By “brushing-up”, the hydrogels’ interface can be tailored to enhance protein adsorption, improve cell adhesion, or impair the diffusive uptake of small molecules into the bulk gels. This effective interfacial nanoengineering method is broadly applicable for enhancing hydrogel performance across a wide range of applications.
KW - Brushing-up
KW - Benzophenone
KW - LCTS-type polymer
KW - Poly(glycidyl ether) (PGE)
KW - Fibroblast adhesion
KW - XPS
KW - ToF-SIMS
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652966
DO - https://doi.org/10.1021/acsami.4c18632
SN - 1944-8244
VL - 17
IS - 6
SP - 10073
EP - 10086
PB - American Chemical Society (ACS)
CY - Washington, DC
AN - OPUS4-65296
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - INPR
A1 - Corrao, Elena
A1 - Gouasmi, Meriem
A1 - Sordello, Fabrizio
A1 - Hodoroaba, Vasile-Dan
A1 - Radnik, Joerg
A1 - Maurino, Valter
A1 - Pellegrino, Francesco
T1 - Tailoring TiO2 Morphology and Surface Chemistry for Optimized Photocatalytic Activity in rGO Hybrids
N2 - TiO2–reduced graphene oxide (rGO) hybrids were investigated in this study to elucidate how TiO2 morphology and surface chemistry govern charge-transfer pathways and, ultimately, reaction selectivity. Three anatase TiO2 nanostructures were compared: bipyramids predominantly exposing {101} facets (bipy) and two nanosheet-like samples enriched in {001} facets, either fluorinated (n-sh) or thermally defluorinated and {101}-enriched (n-sh_873K). A constant rGO loading (2 wt.%) was introduced via in situ hydrazine reduction of graphene oxide in the presence of TiO2. Photocatalytic activity was evaluated under Xe-lamp irradiation in two model reactions probing oxidative and reductive pathways: phenol degradation and H2 evolution using formic acid as a scavenger. rGO systematically enhanced phenol degradation for all morphologies, with bipy+rGO showing the highest activity. In contrast, H2 evolution was consistently suppressed upon rGO incorporation across all TiO2 samples, although the bipyramidal morphology remained the most active within each series. These results highlight that facet exposure and surface functionalization dictate the beneficial or detrimental role of rGO depending on the targeted photocatalytic pathway.
KW - Photocatalytic activity
KW - Reduced graphene oxide
KW - TiO2
KW - Surface chemistry
KW - 2D materials
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653476
DO - https://doi.org/10.26434/chemrxiv-2026-65917
SP - 1
EP - 12
PB - American Chemical Society (ACS)
AN - OPUS4-65347
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Cornelsen Sampaio Kling, I.
A1 - Pauw, Brian Richard
A1 - Agudo Jácome, Leonardo
A1 - Archanjo, B. S.
A1 - Simão, R. A.
T1 - Development and characterization of starch film and the incorporation of silver nanoparticles
N2 - Starch is one of the biopolymers being used for bioplastic synthesis. For production, starch can be combined with different plasticizers, starches from different plant sources and even with nanomaterials to improve or to add film properties. The challenge of adding these, e.g. in the form of silver nanoparticles (AgNp) is to determine the concentration so as to avoid impairing the properties of the film, agglomeration or altering the visual characteristics of the film. In this study, a starch film synthesis route and the incorporation of silver nanoparticles has been proposed in order not to alter the properties of the film while maintaining the transparency and a clear colour of the starch film. The results showed that the proposed synthesis route is promising, efficient, reproducible, fast and the film has good mechanical properties.
T2 - Semana MetalMat & Painal PEMM 2020
CY - Online meeting
DA - 23.11.2020
KW - Biofilm
KW - Silver nanoparticle
KW - Starch
KW - Starch nanoparticle
PY - 2020
SP - 1
EP - 2
AN - OPUS4-51940
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Cordsmeier, Leo
A1 - Hahn, Marc Benjamin
T1 - DNA Stability in Biodosimetry, Pharmacy and DNA Based Data-Storage: Optimal Storage and Handling Conditions
N2 - DNA long-term stability and integrity is of importance for applications in DNA based bio-dosimetry, data-storage, pharmaceutical quality-control, donor insemination and DNA based functional nanomaterials. Standard protocols for these applications involve repeated freeze-thaw cycles of the DNA, which can cause detrimental damage to the nucleobases, as well as the sugar-phosphate backbone and therefore the whole molecule. Throughout the literature three hypotheses can be found about the underlying mechanisms occurring during freeze-thaw cycles. It is hypothesized that DNA single-strand breaks during freezing can be induced by mechanical stress leading to shearing of the DNA molecule, by acidic pH causing damage through depurination and beta elimination or by the presence of metal ions catalyzing oxidative damage via reactive oxygen species (ROS). Here we test these hypotheses under well defined conditions with plasmid DNA pUC19 in high-purity buffer (1xPBS) at physiological salt and pH 7.4 conditions, under pH 6 and in the presence of metal ions in combination with the radical scavengers DMSO and Ectoine. The results show for the 2686 bp long plasmid DNA, that neither mechanical stress, nor pH 6 lead to degradation during repeated freeze-thaw cycles. In contrast, the presence of metal ions (Fe2+) leads to degradation of DNA via the production of radical species.
KW - DNA
KW - DNA stability
KW - Pharmacy
KW - Reference material
KW - pUC19
KW - Strand break
KW - SSB
KW - Dosimetry
KW - Biodosimetry
KW - Biologisches Dosimeter
KW - DNA Dosimeter
KW - Quality control
KW - Plasmid DNA
KW - DNA data storage
KW - Nucleobase
KW - Base damage
KW - Base loss
KW - DNA degradation
KW - Metal ions
KW - ROS
KW - OH radical
KW - Fenton Reaction
KW - H2O2
KW - DNA based data storage
KW - Freezing
KW - Thawing
KW - Mechanical stress
KW - pH
KW - Beta elimination
KW - Ectoine
KW - Ectoin
KW - THP(B)
KW - Radical scavenger
KW - DMSO
KW - Buffer
KW - lN2
KW - DNA vortexing
KW - AGE
KW - SYBR Gold
KW - Gel electrophoresis
KW - DNA long term storage
KW - DNA reference material
PY - 2022
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-557148
DO - https://doi.org/10.1002/cbic.202200391
SP - 1
EP - 9
PB - Wiley-VCH GmbH
AN - OPUS4-55714
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Cope, Elana J.
A1 - Bustamante, Joana
A1 - Johnson, Zöe M.
A1 - Lancaster, Alicia
A1 - Gurunathan, Ramya
A1 - George, Janine
A1 - Agne, Matthias T.
T1 - Heat capacity estimation of complex materials for energy technologies
N2 - The control of heat in energy materials is one of the greatest current engineering challenges. Accurate estimations of heat capacity are key in creating and using materials safely and efficiently. Current models for heat capacity are often limited due to crude estimations of the phonon density of states, which is a key component of the thermodynamic definition of heat capacity. Utilization of a more detailed phonon density of states, which can easily be obtained from machine-learned algorithms, combined with dilation and electronic contributions, yields heat capacity estimations that are 29% better than the widely utilized Debye model and are comparable to state-of-the-art quantum mechanical calculations. The framework and necessary tools for heat capacity estimations demonstrated herein can be built into more detailed models and analyses, such as high-throughput characterization, transport models, or other thermodynamic assessments. Consequently, the so-called vibrational + dilation + electronic (VDE) model of heat capacity developed in this work better enables the informed design of next-generation devices.
KW - Materials Design
KW - Heat Capacity
KW - Machine learning potentials
KW - Thermal Management
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-645711
DO - https://doi.org/10.1016/j.joule.2025.102054
SN - 2542-4351
VL - 9
IS - 8
SP - 1
EP - 12
PB - Elsevier Inc.
AN - OPUS4-64571
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Coburger, Peter
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Emmerling, Franziska
A1 - Abbenseth, Josh
T1 - Combining geometric constraint and redox non-innocence within an ambiphilic PBiP pincer ligand
N2 - The first pincer ligand featuring a strictly T-shaped pnictogen donor moiety was synthesised. The PBiP ligand's redox activity facilitates unprecedented ambiphilic bonding of the Bi centre with transition metals through the Bi(6p) orbital.
KW - EXAFS
KW - Pincer Ligand
KW - Group 15 metals
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-611113
DO - https://doi.org/10.1039/D4SC00197D
SN - 2041-6520
SP - 1
EP - 8
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-61111
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - GEN
A1 - Clifford, C.
A1 - Stintz, M.
A1 - Hodoroaba, Vasile-Dan
A1 - Unger, Wolfgang
A1 - Fujimoto, T.
ED - Hodoroaba, Vasile-Dan
ED - Unger, Wolfgang
ED - Shard, A. G.
T1 - International standards in nanotechnologies
N2 - This chapter provides an overview of what standards are, why they are important, and how they are developed. There is a focus on the work of standards committees relevant to nanotechnology measurement and characterization with tables detailing the standards that are currently available for a large number of different techniques, materials, and applications at the nanoscale.
KW - Standards
KW - Nanotechnology
KW - Reproducibility
KW - ISO
KW - CEN
KW - VAMAS
PY - 2020
SN - 978-0-12-814182-3
DO - https://doi.org/10.1016/B978-0-12-814182-3.00026-2
SP - 511
EP - 525
PB - Elsevier
CY - Amsterdam
AN - OPUS4-50165
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Cirkovic Velickovic, T.
A1 - Altmann, Korinna
A1 - Dailey, L
T1 - CUSP Conference WG1 & WG3: MATERIALS AND METHODS
N2 - This talk is a presentation about the main results of the CUSP cluster on micro- and nanoplastics human health that work from 2021 to 2025 in Horizon Europe programme according to the WG1 and 3. These groups combined the analytics and the materials with interlaboratory comparisons (ILC). The talk reflects the need of realistic test materials with defined properties for micro- and nanoplastic research. Some were developed are now available. The talk also highlights the need for harmonisation and the results of different ILCs that were performed.
T2 - CUSP conference
CY - Brussels, Belgium
DA - 25.02.2025
KW - Microplastics
KW - Reference materials
KW - Interlaboratory comparison (ILC)
PY - 2025
AN - OPUS4-62703
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Cios, Grzegorz
A1 - Hodoroaba, Vasile-Dan
T1 - High throughput nanoparticle analysis using transmission Kikuchi diffraction
N2 - In the present paper we show an approach of measuring large numbers of nanoparticles in a single scan TKD. TiO2 anatase nanoparticles (NP) of bipyramidal shape were deposited on standard carbon grid used for TEM. The procedure used promoted formation of NP ‘monolayer’ islands with uniform distribution of NPs on the carbon surface which allowed mapping of large number of nanoparticles in the single island.
Collection of whole map covering ~2800 nanoparticles took nearly 20 minutes. Inverse pole figure color coded map indicates that the NPs are either lying on a {101} facet (within 10° range around perfect {101} parallel to the carbon surface orientation) on the carbon film or are lying on a {100} facet (within 10° range around the perfect {100} parallel to the carbon surface orientation). Very unlikely was the NP orientation standing on a {001} face. The NPs size distribution described as equivalent circle diameter (ECD) has been also evaluated and the mean NP ECD was 59 nm with standard deviation of 15 nm, i.e. in good agreement with electron microscopy or AFM results.
This study shows high potential of the technique for crystalline NPs analysis with respect to geometrical orientation of the particles on the substrate. With known orientation, the 3D dimensional characterisation of such non-spherical NPs becomes possible from 2D projection electron micrographs. Moreover, the NP size distribution can be easily extracted. Superior accuracies down to 1-2 nm are achievable. The approach is applicable also on thin lamellae extracted from particulate (or mesoporous) layers.
T2 - EMAS 2023 - 17th European Workshop on Modern Developmennts and Applications in Microbeam Analysis
CY - Krakow, Poland
DA - 07.05.2023
KW - Nanoparticles
KW - TKD
KW - Electron microscopy
KW - TiO2
KW - Orientation
PY - 2023
UR - https://www.microbeamanalysis.eu/events/event/60-emas-2023-17th-european-workshop-on-modern-developments-and-applications-in-microbeam-analysis
AN - OPUS4-57519
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Ciornii, Dmitri
A1 - Hodoroaba, Vasile-Dan
A1 - Wachtendorf, Volker
A1 - Fengler, Petra
A1 - Altmann, Korinna
T1 - Interlaboratory Comparison Reveals State of the Art in Microplastic Detection and Quantification Methods
N2 - In this study, we investigate the current accuracy of widely used microplastic (MP) detection methods through an interlaboratory comparison (ILC) involving ISO-approved techniques. The ILC was organized under the prestandardization platform of VAMAS (Versailles Project on Advanced Materials and Standards) and gathered a large number (84) of analytical laboratories across the globe. The aim of this ILC was (i) to test and to compare two thermo-analytical and three spectroscopical methods with respect to their suitability to identify and quantify microplastics in a water-soluble matrix and (ii) to test the suitability of the microplastic test materials to be used in ILCs. Two reference materials (RMs), polyethylene terephthalate (PET) and polyethylene (PE) as powders with rough size ranges between 10 and 200 μm, were used to press tablets for the ILC. The following parameters had to be assessed: polymer identity, mass fraction, particle number concentration, and particle size distribution. The reproducibility, SR, in thermo-analytical experiments ranged from 62%−117% (for PE) and 45.9%−62% (for PET). In spectroscopical experiments, the SR varied between 121% and 129% (for PE) and 64% and 70% (for PET). Tablet dissolution turned out to be a very challenging step and should be optimized. Based on the knowledge gained, development of guidance for improved tablet filtration is in progress. Further, in this study, we discuss the main sources of uncertainties that need to be considered and minimized for preparation of standardized protocols for future measurements with higher accuracy.
KW - Microplastics
KW - Interlaboratory comparison
KW - PlasticsFatE
KW - PET
KW - PE
KW - Reference materials
KW - VAMAS
KW - Thermo-analytical methods
KW - Spectroscopical methods
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630462
DO - https://doi.org/10.1021/acs.analchem.4c05403
SN - 1520-6882
VL - 97
SP - 8719
EP - 8728
PB - ACS Publications
AN - OPUS4-63046
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - RPRT
A1 - Ciornii, Dmitri
A1 - Hodoroaba, Vasile-Dan
A1 - Benismail, Nizar
A1 - Altmann, Korinna
T1 - Project 2: Interlaboratory Comparison on detection and quantitative assessment of microplastics by use of spectroscopic and thermo-analytical methods
N2 - Validated and standardized methods in microplastic analysis are indispensable for robust monitoring and regulation. Alongside also reference materials are urgently needed. An interlaboratory comparison (ILC) offers a powerful tool to address both these challenges. The present study aimed to compare the precision and accuracy of various methods for the detection and quantification of microplastic in a water-soluble matrix. Additionally, it evaluated the suitability of the test materials (containing environmentally relevant plastic polymers) to serve as reference materials for the microplastic analysis.
In this ILC several most used thermo-analytical and spectroscopic methods have been addressed: Pyrolysis-Gas Chromatography Mass Spectrometry (Py-GC/MS), Thermal Extraction-Desorption Gas Chromatography Mass Spectrometry (TED-GC/MS), micro-Fourier Transform Infrared Spectroscopy (µ-FTIR), and micro-Raman Spectroscopy and Laser Direct Infrared Spectroscopy (LDIR). Microplastic powders of polyethylene (PE) and polyethylene terephthalate (PET) were used to assess suitability of the test materials (microplastic tablets) for method validation and use in the ILCs. The participants were guided with a SOP how to dissolve the test samples and, depending on their selected method, either quantify the number of particles (by the spectroscopic methods) or determine the mass fraction of microplastic particles per sample (by the thermo-analytical methods).
KW - ILC
KW - Microplastic
KW - FTIR
KW - Raman
KW - TED-GC/MS
KW - Py-GC/MS
PY - 2024
SP - 1
EP - 16
AN - OPUS4-60612
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Ciornii, Dmitri
T1 - Testing the quality of nanomaterial properties data for nano-risk assessment – towards guidance for all types of users
N2 - Data quality is a vast term, which comprises the completeness, relevance (adequacy), and reliability of data. So far, many attempts to assure data quality have been pursued, and evaluation criteria for data quality have been established. One relatively novel but already well-known aspect of data quality refers to the concept of data FAIRness, which states that data should be: findable, accessible, interoperable and re-usable. In order to find, use, and access data, a user has to be guided properly. Such guidelines already exist for regulators and the scientific community. However, a ‘simple’ non-academic user from general society is very unlikely to be able to access or understand such data. Our objective in the H2020 project NANORIGO is to help and guide all types of users (i.e., scientists, regulators, industry workers, citizens, etc.) to access and make use of high-quality data and information from available and suitable data repositories in order to increase the transparency of and trust in nanotechnology.
T2 - nanoSAFE 2020
CY - Online Meeting
DA - 16.11.2020
KW - Nano-related data
KW - Nanomaterial properties
KW - Nano-risk assessment
PY - 2020
AN - OPUS4-51701
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Ciornii, Dmitri
T1 - Micro- and Nanoplastics: from physico-chemical properties to reference products
N2 - In this presentation we demonstrate the importance of physico-chemical properties (pc) of micro- and nanoplastic particles (MNPs). These properties determine interaction between MNPs and cells or living organisms. To perform accurate experiments for acquiring pc information it is essential to develop well-characterized and understood plastic reference materials. Such reference materials can be used in interlaboratory comparisons (ILCs). BAM is organizing under VAMAS two ILCs, on micro- and nanoplastics to obtain reliable results and methodologies for pc characterization of MNPs. By gaining profound knowledge on pc properties it becomes possible to estimate the impact of MNPs on the humans and environment and therefore to translate the knowledge to the level of regulation.
T2 - CUSP early-stage researchers meeting
CY - Online meeting
DA - 08.11.2022
KW - Micro- and nanoplastics
KW - Plastic reference materials
KW - Interlaboratory Comparisons
PY - 2022
AN - OPUS4-56330
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Ciornii, Dmitri
T1 - Validation of microplastics detection methods and proficiency testing: Suitable microplastic reference materials for interlaboratory comparison
N2 - Since microplastics (MPs) can be found everywhere and are becoming a problem of high concern, it is necessary to understand their physico-chemical properties. To obtain reliable analytical data a set of validated methods for sampling, sample preparation, detection, and data evaluation are needed.
To meet these needs an interlaboratory comparison (ILC) with 84 participants worldwide has been organized under the international pre-standardisation platform VAMAS (www.vamas.org/twa45/) as Project 2 “Development of standardized methodologies for characterisation of microplastics with microscopy and spectroscopy methods” within the Technical Working Area TWA 45 “Micro and Nano Plastics in the Environment”. In this ILC thermo-analytical methods (Py-GC/MS and TED-GC/MS) and vibrational methods (µ-Raman and µ-FTIR) have been tested and compared by providing a set of microplastic representative test materials and measurement protocols developed at BAM. The defined measurands were: particle number concentration, particle size distribution (PSD), and polymer identity and mass content. To increase the statistical quality, 6 samples were shipped together with blank samples. Hence, the ILC provides information on precision and accuracy of the results obtained with different methods as well as strengths and limitations of the proposed protocols.
T2 - SETAC 34th Meeting
CY - Seville, Spain
DA - 05.05.2024
KW - ILC
KW - Microplastic
KW - Method validation
KW - Stakeholder
KW - Reference materials
KW - Polyethylene
KW - Polyethylene Terephtalate
PY - 2024
AN - OPUS4-60039
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Ciornii, Dmitri
T1 - Interlaboratory comparisons for obtaining reliable data on microplastic detection methods
N2 - Since microplastics (MPs) can be found everywhere and are becoming a problem of high concern, it is necessary to understand their occurrence and fate in the environment. However, to obtain data of high quality is very challenging, since measurement operating procedures differ from laboratory to laboratory. Currently, there are no standardized methods to analyze microplastics. One promissing possibility to adress standardization of the methodology and operating procedures are interlaboratory comparisons (ILCs). In this contribution we report the first results of an ILC on microplastic detection methods organized under the pre-stantdardisation plattform of VAMAS (www.vamas.org/twa45/) as Project 2 “Development of standardized methodologies for characterisation of microplastics with microscopy and spectroscopy methods”, within the Technical Working Area TWA 45 “Micro and Nano Plastics in the Environment”. The ILC has gathered 84 participants all over the world representing all continents. BAM, as the project leader, produced a set of reference microplastic materials, which have been distributed to all the participants together with the measurement protocols and reporting data templates.
T2 - SETAC 34th Meeting
CY - Seville, Spain
DA - 05.05.2024
KW - ILC
KW - Microplastic
KW - Py-GC/MS
KW - Polyethylene
KW - µ-Raman
KW - µ-FTIR
KW - Polyethylene Terephtalate
KW - TED-GC/MS
PY - 2024
AN - OPUS4-60038
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Ciornii, Dmitri
T1 - Identification of toxicologically relevant functional groups on micro- and nanoplastic particles’ surface by means of X-Ray photoelectron spectroscopy
N2 - Microplastic and nanoplastic particles (MNP) are spread all over the world in various types, shapes and sizes making it very challenging to accurately analyse them. Each sampling procedure, sample preparation method and detection technique needs suitable reference materials to validate the method for accurate results. Furthermore, the effects of these MNPs should be evaluated by risk and hazard assessment with test particles close to reality. To better understand MNP behavior and aid in clarification of their interactions with organisms, we produced several MNP materials by top-down procedure and characterized their properties. Since surface properties mostly determine particles’ toxicity, the aim of the present study was to determine which functional groups are present on MNPs and how the surface can be affected by the production process and particle’s environment.
T2 - SETAC 34th Meeting
CY - Seville, Spain
DA - 05.05.2024
KW - Microplastics
KW - Nanoplastics
KW - Polypropylene
KW - XPS
KW - SEM
PY - 2024
AN - OPUS4-60037
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Ciornii, Dmitri
T1 - Data quality for Nanorisk Governance
N2 - Nanomaterials bring various benefits and have become a part of our daily lives. However, the risks emerging from nanotechnology need to be minimized and controlled at the regulatory level and therefore, there is a need for nanorisk governance. One of the prerequisites for successful nanorisk governance is the availability of high-quality data on nanomaterials and their impact with the human body and the environment. In recent decades, a countless number of publications and studies on nanomaterials and their properties have been produced due to the fast development of nanotechnology. Despite such a vast amount of data and information, there are certain knowledge gaps hindering an efficient nanorisk governance process. Knowing the state of the available data and information is an important requirement for any decision maker in dealing with risks. In the specific case of nanotechnology, where most of the risks are complex, ambiguous, and uncertain in nature, it is essential to obtain complete data and metadata, to fill knowledge gaps, and to transform the available knowledge into functional knowledge. This can become possible using a novel approach developed within the NANORIGO project (Grant agreement No. 814530) – the Knowledge Readiness Level (KaRL). In analogy to NASA’s Technology Readiness Levels (TRLs), we define KaRLs as a categorization system of data, information, and knowledge which enables transformation of data and information into functional knowledge for nanorisk governance. Our approach goes beyond the technical curation of data and metadata and involves quality and completeness filters, regulatory compliance requirements, nanorisk-related tools, and most importantly, human input (inclusion of all stakeholder groups). With the KaRL approach we also address key issues in nanotechnology such as societal and ethical concerns, circular economies and sustainability, the Green Deal, and the traceability of data, knowledge, and decisions. The KaRL approach could be used for nanorisk governance by a nanorisk governance council (NRGC), which is currently under development by three EU projects (NANORIGO, GOV4NANO, and RISKGONE).
T2 - Nanosafety Training School: From Basic Science To Risk Governance
CY - Online meeting
DA - 20.06.2021
KW - Data
KW - Knowledge
KW - Risk Governance
KW - Knowledge Readiness Level
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-529255
AN - OPUS4-52925
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Ciornii, Dmitri
T1 - Knowledge Readiness for Nanorisk Governance
N2 - Nanomaterials bring various benefits and have become a part of our daily lives. However, the risks emerging from nanotechnology need to be minimized and controlled at the regulatory level and therefore, there is a need for nanorisk governance. One of the prerequisites for successful nanorisk governance is the availability of high-quality data on nanomaterials and their impact with the human body and the environment. In recent decades, a countless number of publications and studies on nanomaterials and their properties have been produced due to the fast development of nanotechnology. Despite such a vast amount of data and information, there are certain knowledge gaps hindering an efficient nanorisk governance process. Knowing the state of the available data and information is an important requirement for any decision maker in dealing with risks. In the specific case of nanotechnology, where most of the risks are complex, ambiguous, and uncertain in nature, it is essential to obtain complete data and metadata, to fill knowledge gaps, and to transform the available knowledge into functional knowledge. This can become possible using a novel approach developed within the NANORIGO project (Grant agreement No. 814530) – the Knowledge Readiness Level (KaRL). In analogy to NASA’s Technology Readiness Levels (TRLs), we define KaRLs as a categorization system of data, information, and knowledge which enables transformation of data and information into functional knowledge for nanorisk governance. Our approach goes beyond the technical curation of data and metadata and involves quality and completeness filters, regulatory compliance requirements, nanorisk-related tools, and most importantly, human input (inclusion of all stakeholder groups). With the KaRL approach we also address key issues in nanotechnology such as societal and ethical concerns, circular economies and sustainability, the Green Deal, and the traceability of data, knowledge, and decisions. The KaRL approach could be used for nanorisk governance by a nanorisk governance council (NRGC), which is currently under development by three EU projects (NANORIGO, GOV4NANO, and RISKGONE).
T2 - Gov4Nano: data management core group
CY - Online meeting
DA - 05.07.2021
KW - Data Management
KW - Knowledge Readiness Level
KW - Nanorisk Governance
KW - Participatory Approach
KW - Sustainability
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-529264
AN - OPUS4-52926
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Ciornii, Dmitri
T1 - Knowledge Readiness Level (KaRL) approach for nanorisk governance and beyond
N2 - Regulatory decisions require reliable data and knowledge derived from this. Among stakeholders in nanotechnology, however, there is often uncertainty about the quality of data for regulatory purposes. In addition, the general public often finds itself excluded from nanoregulation and policy decisions. This creates uncertainty in the nanotechnology field and also in other branches of technology and leads to concerns among the society.
To address these issues, NANORIGO elaborates a framework to support decision making as well as data, information and knowledge sharing and use. We refer to “reliability” of data and knowledge as a degree of readiness or maturity. According to these criteria we worked out a 9-level scale in analogy to TRL (technology readiness level), the KaRL system (Knowledge, Data and Information Readiness Level). KaRL allows assessment of knowledge readiness for decision making by applying defined quality criteria for each level. It also provides guidance on how to enhance the readiness level by the help of available tools and procedures. KaRL addresses SEIN[1] principles, circular economy and thus involves the public concerns in regulation. A specialized nanorisk governance council (being under development in NANORIGO) is suggested to perform quality check of an actionable document, thus, aiding in consensus on the reliability (maturity) of knowledge for decision making. Moreover, KaRL facilitates traceability of knowledge before its use in decision making. This enables the transparency demanded by all stakeholders.
T2 - EuroNanoForum 2021
CY - Online meeting
DA - 05.05.2021
KW - Knowledge Readiness Level
KW - Nanorisk
KW - Nanomaterials
KW - Data
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-524725
AN - OPUS4-52472
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Ciornii, Dmitri
T1 - Knowledge, Information and Data Readiness Levels (KaRL) approach for Nanorisk Governance
N2 - Nanomaterials may have brought many beneficial innovations with them in our daily lives and and have become indispensable for the society. However, one needs to be concerned of the risks which are still unknown and not sufficietly studied and therefore there is a need for a nanorisk governance. At the core of nanorisk governance is gathering, processing and analysing reliable data which will be used for decision making. The challenge is to assure data reliability and transform it into knowledge. To address this challenge, we used analogy to technology readiness level (TRL) approach (developed by NASA), and elaborated knowledge readiness level (KaRL). KaRL is a nine-scale system to categorize data and knowledge (documents) into levels of readiness for particular purposes and to enhance readiness level by using quality and completeness filters, compliance requirements, nanorisk-related tools, stakeholders’ input. By our approach we addressed key issues in nanotechnology such as societal and ethical concerns, circular economy and sustainability, traceability of data, knowledge and decisions.
T2 - EC - HORIZON EUROPE NMBP-13 Joint Conference Risk Governance of nanotechnology
CY - Online meeting
DA - 12.04.2021
KW - Knowledge Readiness Level
KW - Nanorisk
KW - Nanomaterials
KW - Data
PY - 2021
AN - OPUS4-52471
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Ciornii, Dmitri
T1 - Interlaboratory Comparisons – ILCs (2022-2023)
N2 - To obtain reliable data on micro- and nanoplastics (MPs, NPs) BAM (Federal Institute for Materials Research and Testing) is organizing interlaboratory comparisons (ILCs). Main focus is detection and physico-chemical characterisation. The accuracy and precision of the results of different laboratories and comparability of the results among the participants are addressed. The ILCs will be performed in the following order: i) ILC #1: Detection and Characterisation of MPs (1-1000 µm) and ii) ILC #2: Detection and Characterisation of NPs (< 1 µm).
For the ILC #1 the parameters to be analysed are: particle size distribution, shape, mass content, particle concentration, with thermoanalytic (Py-GC/MS, TED-GC/MS) and spectroscopy (µ-Raman, µ-FTIR) methods. For the ILC #2 the parameters are: particle size distribution, shape, particle concentration, with methods such as spectroscopical (Raman), Electron Microscopies (SEM, AFM), etc. Exact measurands and methods are still under discussion. BAM will provide test materials of well-known stability and homogeneity. ILC participants will include partners of the CUSP (the European research cluster to understand the health impacts of micro- and nanoplastics), and any other institutions over the world. The ILCs will take place under the international pre-standardisation platform VAMAS, new Technical Working Area 35 “Micro and Nano Plastics in the Environment” (http://www.vamas.org/twa45/).
T2 - Progressing Together: 2nd CUSP Annual Meeting at the JRC (Ispra)
CY - Ispra, Italy
DA - 08.06.2022
KW - ILC
KW - Micro- and nanoplastics
KW - VAMAS
KW - Analytical methods
PY - 2022
AN - OPUS4-55097
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Ciornii, Dmitri
T1 - Getting reliable data on microplastic detection methods by means of ILC
N2 - There is an urgent demand for reliable data on microplastic analysis, particularly on its physico-chemical properties as well as validated methodology to obtain such data. Through interlaboratory comparisons (ILCs) it becomes possible to assess accuracy and precision of methods by involving many laboratories around the world. At BAM, my tasks focused around organisation of an ILC on physico-chemical characterisation of microplastic detection methods under the international pre-standardisation platform VAMAS (www.vamas.org/twa45/) as Project 2 “Development of standardized methodologies for characterisation of microplastics with microscopy and spectroscopy methods” under the Technical Working Area TWA 45 “Micro and Nano Plastics in the Environment”.
With a proud number of 84 participants this ILC is able to provide superior statistical results. Thermoanalytical (Py-GC/MS and TED-GC/MS) and vibrational (µ-IR and µ-Raman) methods were asked for identification and quantification of microplastic test samples according to mass or particle number. Preliminary results indicate which methods show a higher accuracy and precision and reveal some sample preparation ideas which work best for microplastics characterisation. At the end of the ILC an overall plausibility of the results will be assessed.
T2 - CUSP Early Career Researchers Meeting
CY - Online meeting
DA - 21.11.2023
KW - Micro- and Nanoplastics
KW - Interlaboratory comparison
KW - Microplastic reference materials
PY - 2023
AN - OPUS4-59056
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Chudoba, T.
A1 - Schwenk, D.
A1 - Reinstädt, P.
A1 - Griepentrog, Michael
T1 - High-Precision Calibration of Indenter Area Function and Instrument Compliance
N2 - The accuracy and comparability of nanoindentation results depend significantly on the calibration of area function and instrument compliance. The area function results should not depend on the reference material used or on the calibration method (direct or indirect). This has been investigated for 18 different Berkovich tips. A novel calibration method is proposed that confirms the material independence of the area function and gives a force-dependent instrument compliance function. An agreement between direct and indirect calibration could only be achieved by considering a radial displacement correction. Further, it is shown that the transition range from a spherical cap to the correct face angle of the pyramid can extend to a depth of more than 250 nm. A better parameter for the indenter than the tip radius is the offset of the contact radius to the radius of an ideal tip at a depth where the correct face angle is reached.
KW - Nanoindentation
KW - Calibration
KW - Indenter area function
KW - Instrument compliance
PY - 2022
DO - https://doi.org/10.1007/s11837-022-05291-3
SN - 1047-4838
VL - 74
IS - 6
SP - 2179
EP - 2194
PB - Springer
AN - OPUS4-55849
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Christopher, I
A1 - Michalchuk, Adam
A1 - Pulham, C.
A1 - Morrison, C.
T1 - Towards Computational Screening for New Energetic Molecules: Calculation of Heat of Formation and Determination of Bond Strengths by Local Mode Analysis
N2 - The reliable determination of gas-phase and solid-state heats of formation are important considerations in energetic materials research. Herein, the ability of PM7 to calculate the gas-phase heats of formation for CNHO-only and inorganic compounds has been critically evaluated, and for the former, comparisons drawn with isodesmic equations and Atom equivalence methods. Routes to obtain solid-state heats of formation for a range of singlecomponent molecular solids, salts, and co-crystals were also evaluated. Finally, local vibrational mode analysis has been used to calculate bond length/force constant curves for seven different chemical bonds occurring in CHNO-containing molecules, which allow for rapid identification of the weakest bond, opening up great potential to rationalise decomposition pathways. Both metrics are important tools in rationalising the design of new energetic materials through computational screening processes.
KW - Energetic materials
KW - Density functional theory
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-530371
DO - https://doi.org/10.3389/fchem.2021.726357
VL - 9
SP - 726357
AN - OPUS4-53037
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Chowdhary, S.
A1 - Schmidt, R. F.
A1 - Sahoo, A. K.
A1 - tom Dieck, T.
A1 - Hohmann, T.
A1 - Schade, B.
A1 - Brademann-Jock, Kerstin
A1 - Thünemann, Andreas
A1 - Netz, R. R.
A1 - Gradzielski, M.
A1 - Koksch, B.
T1 - Rational design of amphiphilic fluorinated peptides: Evaluation of self-assembly properties and hydrogel formation
N2 - Advanced peptide-based nanomaterials composed of self-assembling peptides (SAPs) are of emerging interest in pharmaceutical and biomedical applications. The introduction of fluorine into peptides, in fact, offers unique opportunities to tune their biophysical properties and intermolecular interactions. In particular, the degree of fluorination plays a crucial role in peptide engineering as it can be used to control the characteristics of fluorine-specific interactions and, thus, peptide conformation and self-assembly. Here, we designed and explored a series of amphipathic peptides by incorporating the fluorinated amino acids (2S)-4-monofluoroethylglycine (MfeGly), (2S)-4,4-difluoroethylglycine (DfeGly) and (2S)-4,4,4-trifluoroethylglycine (TfeGly) as hydrophobic components. This approach enabled studying the impact of fluorination on secondary structure formation and peptide self-assembly on a systematic basis. We show that the interplay between polarity and hydrophobicity, both induced differentially by varying degrees of side chain fluorination, does affect peptide folding significantly. A greater degree of fluorination promotes peptide fibrillation and subsequent formation of physical hydrogels in physiological conditions. Molecular simulations revealed the key role played by electrostatically driven intra-chain and inter-chain contact pairs that are modulated by side chain fluorination and give insights into the different self-organization behaviour of selected peptides. Our study provides a systematic report about the distinct features of fluorinated oligomeric peptides with potential applications as peptide-based biomaterials.
KW - Small-angle X-ray scattering
KW - SAXS
KW - Amyloid
PY - 2022
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-553504
DO - https://doi.org/10.1039/D2NR01648F
SN - 2040-3364
VL - 14
IS - 28
SP - 10176
EP - 10189
PB - Royal Society of Chemistry
AN - OPUS4-55350
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Chowdhary, S.
A1 - Moschner, J.
A1 - Mikolajczak, D. J.
A1 - Becker, M.
A1 - Thünemann, Andreas
A1 - Kästner, Claudia
A1 - Klemczak, D.
A1 - Stegemann, A.-K.
A1 - Böttcher, C.
A1 - Metrangolo, P.
A1 - Netz, R. R.
A1 - Koksch, B.
T1 - The Impact of Halogenated Phenylalanine Derivatives on NFGAIL Amyloid Formation
N2 - The hexapeptide hIAPP22–27 (NFGAIL) is known as a crucial amyloid core sequence of the human islet amyloid polypeptide (hIAPP) whose aggregates can be used to better understand the wild‐type hIAPP′s toxicity to β‐cell death. In amyloid research, the role of hydrophobic and aromatic‐aromatic interactions as potential driving forces during the aggregation process is controversially discussed not only in case of NFGAIL, but also for amyloidogenic peptides in general. We have used halogenation of the aromatic residue as a strategy to modulate hydrophobic and aromatic‐aromatic interactions and prepared a library of NFGAIL variants containing fluorinated and iodinated phenylalanine analogues. We used thioflavin T staining, transmission electron microscopy (TEM) and small‐angle X‐ray scattering (SAXS) to study the impact of side‐chain halogenation on NFGAIL amyloid formation kinetics. Our data revealed a synergy between aggregation behavior and hydrophobicity of the phenylalanine residue. This study introduces systematic fluorination as a toolbox to further investigate the nature of the amyloid self‐assembly process.
KW - Small-angle X-ray scattering
KW - SAXS
KW - Nanoparticle
KW - Nanostructure
KW - Peptide
KW - Amyloid
PY - 2020
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-518632
DO - https://doi.org/10.1002/cbic.202000373
VL - 21
IS - 24
SP - 3544
EP - 3554
PB - Wiley
CY - Weinheim
AN - OPUS4-51863
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Choi, Ching-Yi
A1 - Lossada, F.
A1 - Walter, K.
A1 - Fleck-Kunde, T.
A1 - Behrens, S.
A1 - Meinelt, T.
A1 - Falkenhagen, Jana
A1 - Hiller, M.
A1 - Oschkinat, H.
A1 - Dallmann, A.
A1 - Taden, A.
A1 - Börner, H.G.
T1 - Organic transformation of lignin into mussel-inspired glues: next-generation 2K adhesive for setting corals under saltwater
N2 - The 2-methoxyphenol units (G-units) in lignin are modified by demethylation and oxidation to provide the activated lignin as one part of an advanced biobased two-component (2K) adhesive system, which exhibits promising shear strengths in dry and underwater applications. The activation of lignin is straightforward and generates quinones via demethylation and periodate oxidation. These act as Michael acceptors and react smoothly with multi-thiol-star polymers to yield thiol-catechol connectivities (TCCs). The mussel-inspired material platform acts as a very robust and versatile adhesive, combining low-cost and readily available lignin with multi-thiols to achieve outstanding adhesion strengths of up to 15 MPa in dry application. In particular, the 2K system is compatible with the marine biological environment and shows no acute toxicity to sensitive organisms such as fish eggs. Thus, one possible application of this material could be an adhesive for setting temperature-resistant corals in damaged reefs.
KW - Lignin modification
KW - Mussel-inspired adhesive systems
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594588
DO - https://doi.org/10.1039/d3gc03680d
SN - 1463-9270
SP - 1
EP - 15
PB - RSC
CY - Cambridge
AN - OPUS4-59458
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Chinnasamy, R.
A1 - Ravi, J.
A1 - Pradeep, V.V.
A1 - Manoharan, D.
A1 - Emmerling, Franziska
A1 - Bhattacharya, Biswajit
A1 - Ghosh, S.
T1 - Adaptable Optical Microwaveguides From Mechanically Flexible Crystalline Materials
N2 - Flexible organic crystals (elastic and plastic) are important materials for optical waveguides, tunable optoelectronic devices, and photonic integrated circuits. Here, we present highly elastic organic crystals of a Schiff base, 1-((E)-(2,5-dichlorophenylimino)methyl)naphthalen-2-ol (1), and an azine molecule, 2,4-dibromo-6-((E)-((E)-(2,6-dichlorobenzylidene)hydrazono)methyl)phenol (2). These microcrystals are highly flexible under external mechanical force, both in the macroscopic and the microscopic regimes. The mechanical flexibility of these crystals arises as a result of weak and dispersive C−H⋅⋅⋅Cl, Cl⋅⋅⋅Cl, Br⋅⋅⋅Br, and π⋅⋅⋅π stacking interactions. Singly and doubly-bent geometries were achieved from their straight shape by a micromechanical approach using the AFM cantilever tip. Crystals of molecules 1 and 2 display a bright-green and red fluorescence (FL), respectively, and selective reabsorption of a part of their FL band. Crystals 1 and 2 exhibit optical-path-dependent low loss emissions at the termini of crystal in their straight and even in extremely bent geometries. Interestingly, the excitation position-dependent optical modes appear in both linear and bent waveguides of crystals 1 and 2, confirming their light-trapping ability.
KW - Crystal growth
KW - Fluorescence
KW - Mechanophotonics
KW - Micromanipulation
KW - Optical waveguides
PY - 2022
DO - https://doi.org/10.1002/chem.202200905
SN - 0947-6539
SP - 1
EP - 8
PB - Wiley VHC-Verlag
AN - OPUS4-55018
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Chinellato, Fabio
A1 - Wilbig, Janka
A1 - Al-Sabbagh, Dominik
A1 - Colombo, P.
A1 - Günster, Jens
T1 - Gas flow assisted powder deposition for enhanced flowability of fine powders: 3D printing of alpha-tricalcium phosphate
N2 - The possibility of creating patient-specific individual implants makes Additive Manufacturing technologies of special interest for the medical sector. For substitution of bone defects, powder based Additive Manufacturing by Binder Jetting is a suitable method to produce complex scaffold-like structures made of bioceramics with easily adapted geometries and controlled porosity. The process inherent residual porosity in the printed part, even though desired as it supports bone ingrowth, also leads to limited mechanical strength. Currently, bioceramic scaffolds made by Binder Jetting feature suitable biocompatible and biodegradable properties, while a sufficient mechanical stability is rather challenging. The purpose of this work is to apply the gas flow assisted powder deposition introduced in 2014 by Zocca et al., to the powder bed during printing of bioceramic tablets and scaffolds using α-TCP powder as feedstock. This enables exploiting the advantages of an increased powder bed density, thereby improving the mechanical properties of the printed parts.
KW - Additive Manufacturing
KW - Binder Jetting
KW - Gas flow assisted powder deposition
KW - Alpha-tricalcium phosphate
KW - Scaffold
PY - 2020
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-510138
DO - https://doi.org/10.1016/j.oceram.2020.100003
SN - 2666-5395
VL - 1
SP - 100003
PB - Elsevier Ltd.
AN - OPUS4-51013
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Chewle, Surahit
A1 - Emmerling, Franziska
A1 - Weber, M.
T1 - Effect of choice of solvent on crystallization pathway of paracetamol: An experimental and theoretical case study
N2 - The choice of solvents influences crystalline solid formed during the crystallization of active pharmaceutical ingredients (API). The underlying effects are not always well understood because of the complexity of the systems. Theoretical models are often insufficient to describe this phenomenon. In this study, the crystallization behavior of the model drug paracetamol in different solvents was studied based on experimental and molecular dynamics data. The crystallization process was followed in situ using time-resolved Raman spectroscopy. Molecular dynamics with simulated annealing algorithm was used for an atomistic understanding of the underlying processes. The experimental and theoretical data indicate that paracetamol molecules adopt a particular geometry in a given solvent predefining the crystallization of certain polymorphs
KW - Crystallization
KW - Nucleation
KW - Polymorphism
KW - Raman spectroscopy
KW - Cassical nucleation theory
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-520052
DO - https://doi.org/10.3390/cryst10121107
SN - 2073-4352
VL - 10
IS - 12
SP - 1
EP - 10
PB - MDPI
CY - Basel
AN - OPUS4-52005
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Cherbib, S.
A1 - Jlalia, I.
A1 - Chabbah, T.
A1 - Chatti, S.
A1 - Marestin, C.
A1 - Mercier, R.
A1 - Weidner, Steffen
A1 - Casabianca, H.
A1 - Jaffrezic-Renault, N.
A1 - Abderrazak, H.
T1 - Design of New Partially Bio-Based Polyguanamines for the Reversible Adsorption of Phenolic Molecules from Olive Mill Wastes
N2 - Olive mill wastewater produces a variety of potent antioxidants, including hydroxytyrosol, oleuropein, and tyrosol, that have been widely used in agriculture, pharmacy, and cosmetics. This study aims to design new poly(guanamine)s phases by polycondensation of modified triazine monomers with both petro-based and biosourced diamines, to act as stationary phases for the uptake of these phenolic molecules. Obtained polymers were characterized by NMR spectroscopy, differential scanning calorimetry (DSC), and thermogravimetric analysis (TGA). The adsorption results showed that the newly synthesized polymers can effectively uptake the less polar phenolic compounds, ferulic acid, and caffeic acid. The isosorbide-based polymer (P6) presented the highest sorption efficiency, due to the hydrophilic properties of isosorbide associated with the proton affinity of the triazine groups. All the phenolic compounds were successfully desorbed from the P6 polymer using a minimal amount of a methanol/acetonitrile mixture. P6 polymer could be used for four successive adsorption processes without loss of efficiency.
KW - Olive mill wastewater
KW - Triazine
KW - Isosorbide
KW - Adsorption
KW - Phenolic compounds
PY - 2024
DO - https://doi.org/10.1007/s42250-024-01081-3
SN - 2522-5758
SP - 1
EP - 11
PB - Springer Science and Business Media LLC
AN - OPUS4-61348
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Chen, Z.
A1 - Perez, J. P. H.
A1 - Smales, Glen Jacob
A1 - Blukis, R.
A1 - Pauw, Brian Richard
A1 - Stammeier, J. A.
A1 - Radnik, Jörg
A1 - Smith, A. J.
A1 - Benning, L. G.
T1 - Impact of organic phosphates on the structure and composition of short-range ordered iron nanophases
N2 - Organic phosphates (OP) are important nutrient components for living cells in natural environments, where they readily interact with ubiquitous iron phases such as hydrous ferric oxide, ferrihydrite (FHY). FHY partakes in many key bio(geo)chemical reactions including iron-mediated carbon storage in soils, or iron-storage in living organisms. However, it is still unknown how OP affects the formation, structure and properties of FHY. Here, we document how β-glycerophosphate (GP), a model OP ligand, affects the structure and properties of GP–FHY nanoparticles synthesized by coprecipitation at variable nominal molar P/Fe ratios (0.01 to 0.5). All GP–FHY precipitates were characterized by a maximum solid P/Fe ratio of 0.22, irrespective of the nominal P/Fe ratio. With increasing nominal P/Fe ratio, the specific surface area of the GP–FHY precipitates decreased sharply from 290 to 3 m2 g−1, accompanied by the collapse of their pore structure. The Fe–P local bonding environment gradually transitioned from a bidentate binuclear geometry at low P/Fe ratios to monodentate mononuclear geometry at high P/Fe ratios. This transition was accompanied by a decrease in coordination number of edge-sharing Fe polyhedra, and the loss of the corner-sharing Fe polyhedra. We show that Fe(III) polymerization is impeded by GP, and that the GP–FHY structure is highly dependent on the P/Fe ratio. We discuss the role that natural OP-bearing Fe(III) nanophases have in biogeochemical reactions between Fe–P and C species in aquatic systems.
KW - Organic phosphates
KW - Iron nanophases
KW - Scattering
KW - Diffraction
KW - Nanomaterials
KW - Coprecipitation
KW - Carbon storage
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-599399
DO - https://doi.org/10.1039/d3na01045g
SN - 2516-0230
SP - 1
EP - 13
PB - Royal Society of Chemistry (RSC)
CY - Cambridge
AN - OPUS4-59939
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 - JOUR
A1 - Chemello, Giovanni
A1 - Radnik, Jörg
A1 - Hodoroaba, Vasile-Dan
T1 - XPS–SEM/EDS Tandem Analysis for the Elemental Composition of Functionalized Graphene Nanoplatelets
N2 - Over the past decade, energy-dispersive X-ray spectrometry (EDS) with scanning electron microscopy (SEM) has advanced to enable the accurate analysis of light elements such as C, N, or O. For this reason, EDS is becoming increasingly interesting as an analytical method for the elemental analysis of functionalized graphene and could be an attractive alternative to Xray photoelectron spectroscopy (XPS), which is considered the most important method for elemental analysis. In this study, comparative XPS and EDS investigations under different excitation conditions are carried out on commercially available powders containing graphene particles with different morphologies. The slightly different XPS/HAXPES and EDS results can be explained by the different information depths of the methods and the functionalization of the particle surfaces. For the material with smaller graphene particles and higher O/C ratios, all methods reported a lower O/C ratio in pellets compared with the unpressed powder samples. This clearly shows that sample preparation has a significant influence on the quantification results, especially for such a type of morphology. Overall, the study demonstrates that EDS is a reliable and fast alternative to XPS for the elemental quantification of functionalized graphene particles, provided that differences in the information depth are taken into account. Particle morphology can be examined in parallel with quantitative element analysis, since EDS spectrometers are typically coupled with SEM, which are available in a huge number of analytical laboratories.
KW - Graphene oxide
KW - SEM/EDS
KW - XPS/HAXPES
KW - Elemental composition
KW - Functionalization
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-647294
DO - https://doi.org/10.1021/acsomega.5c07830
SN - 2470-1343
SP - 1
EP - 7
PB - American Chemical Society (ACS)
AN - OPUS4-64729
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Chemello, Giovanni
A1 - Radnik, Jörg
A1 - Hodoroaba, Vasile-Dan
T1 - Analysis of Industrial Graphene-Based Flakes – First Results on Morphological Characterization, Sample Preparation and Chemical Composition
N2 - In order to bridge the gap between lab-scale and industrial-scale production of graphene it is necessary to develop processes, equipment and measurement procedures to control the material features. One of the crucial reasons of graphene’s limited commercialization is the lack of standard procedures to properly characterize and define the material chemical and structural properties down to the nanometer level. This leads to many issues regarding material synthesis repeatability, inappropriateness choice of measurands and measurement reproducibility which heavily affect the consistency of the material performance.
In our study, a comparative analysis is performed on two different series (G5 and G6) of industrial graphene powders, each series produced with four types of functionalization: raw graphene, oxygen-functionalized, nitrogen-functionalized and fluorine-functionalized. All the 8 sample variants were analyzed from a chemical and morphological point of view in the form of powders prepared as slightly pressed in metallic sample holders.
The results of the comparative chemical analyses XPS and EDS show a good agreement in the concentration values for all the elements present in the samples, despite the different analysis volumes addressed by the two techniques. For this reason, the samples can be considered homogeneous in both lateral and vertical direction.
A clear influence of the morphology on the composition is evident. Therefore, such correlative measurements of morphology and composition are necessary for a comprehensive characterization of industrial graphene flakes.
KW - Graphene powder
KW - XPS
KW - HAXPES
KW - SEM
KW - EDS
KW - Functionalized graphene
PY - 2022
DO - https://doi.org/10.1017/S1431927622004342
SN - 1435-8115
VL - 28
IS - Suppl 1
SP - 1006
EP - 1008
PB - Cambridge University Press
CY - New York, NY
AN - OPUS4-55512
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Chemello, Giovanni
A1 - Knigge, Xenia
A1 - Ciornii, Dmitri
A1 - Reed, B.P.
A1 - Pollard, A.J.
A1 - Clifford, C.A.
A1 - Howe, T.
A1 - Vyas, N.
A1 - Hodoroaba, Vasile-Dan
A1 - Radnik, Jörg
T1 - Influence of the Morphology on the Functionalization of Graphene Nanoplatelets Analyzed by Comparative Photoelectron Spectroscopy with Soft and Hard X-Rays
N2 - Since its isolation, graphene has received growing attention from academia and industry due to its unique properties. However, the “what is my material” barrier hinders further commercialization. X-ray photoelectron spectroscopy (XPS) is considered as a method of choice for the determination of the elemental and chemical composition. In this work the influence of the morphology of graphene particles on the XPS results is studied and investigated as a function of X-ray energy, using conventional XPS with Al K𝜶 radiation and hard X-ray photoemission spectroscopy (HAXPES) using Cr K𝜶 radiation. Thereby, the information depth is varied between 10 and 30 nm. For this purpose, two commercial powders containing graphene nanoplatelets with lateral dimensions of either ≈100 nm or in the micrometer range are compared. These larger ones exist as stack of graphene layers which is inspected with scanning electron microscopy. Both kinds of particles are then functionalized with either oxygen or fluorine. The size of the graphene particles is found to influence the degree of functionalization. Only the combination of XPS and HAXPES allows to detect the functionalization at the outermost surface of the particles or even of the stacks and to provide new insights into the functionalization process.
KW - Functionalized graphene
KW - Hard-energy X-ray photoelectron spectroscopy
KW - X-ray photoelectron spectroscopy
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-578860
DO - https://doi.org/10.1002/admi.202300116
SN - 2196-7350
SP - 1
EP - 8
PB - Wiley VCH
AN - OPUS4-57886
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Chemello, Giovanni
A1 - Despotelis, Konstantinos
A1 - Paton, Keith
A1 - Clifford, Charles A
A1 - Pollard, Andrew
A1 - Radnik, Jörg
A1 - Hodoroaba, Vasile-Dan
T1 - Approaches for the measurement of lateral dimensions of graphene oxide flakes using scanning electron microscopy
N2 - There is a practical need, especially from the industrial community, to accurately measure the size and shape of graphene oxide (GO) flakes of commercial origin, in a reliable, simple, and unambiguous way. The sample preparation is a decisive step to obtain a homogeneous distribution of flakes on a substrate, which is suitable for image analysis. A certain level of inhomogeneity was still found but could be accepted for the purpose of this lateral size measurement study. A measurement procedure for Scanning Electron Microscopy (SEM) including sample preparation, measurement, image analysis and reporting was developed and validated to be applied for the lateral size analysis of “real-world” 2D flakes. Samples were produced for analysis by drop casting GO dispersions onto Si/SiO2 substrates. After SEM imaging, the images were analysed using two approaches to derive size and shape parameters. The influence of different operators has been evaluated. A maximum difference of 10% for the size descriptor and 2% for shape descriptor was found for both image analysis approaches when different samples of the same source material are measured and analysed by the same operator, hence indicating variability caused by sample preparation and analysing different sample areas. When different laboratories/operators perform the image analysis on exactly the same images and same flakes, the deviation found for the size descriptor is 2% and 4.6% corresponding to the two approaches applied, while no difference in the shape descriptor is observed.
KW - Graphene oxide
KW - SEM
KW - Lateral dimension
KW - Standardisation
KW - Imaging
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-625070
DO - https://doi.org/10.1088/2632-959X/adae28
VL - 6
IS - 1
SP - 1
EP - 11
PB - IOP Publishing
AN - OPUS4-62507
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Chemello, Giovanni
T1 - Characterization of industrial graphene using HAXPES
N2 - A comparative analysis is performed by XPS, HAXPES and SEM of industrial functionalised graphene powder of different morphology. The chemical analysis carried out by XPS, which probing depth is around 10nm, and HAXPES, which can reach up to 30nm probing depth. By combining these two techniques is possible to get a rough, non-destructive depth profiling of the sample's surface. The results show a higher concentration of the functionlisation elements on the surface of the sample and the influence of the morphology on the functionalisation process and the C/O ratio.
T2 - SALSA Make and Measure 2022
CY - Berlin, Germany
DA - 15.09.2022
KW - Graphene
KW - XPS
KW - HAXPES
KW - SEM
KW - Graphene funcionalisation
PY - 2022
AN - OPUS4-55971
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Chemello, Giovanni
T1 - Analysis of industrial graphene-based flakes – first results on morphological characterization, sample preparation and chemical composition
N2 - Before industrial grade graphene could reach comparable quality to the controlled laboratory scale material, many challenges must be overcome. In order to bridge the gap between lab-scale and industrial-scale production is necessary to develop processes, equipment and measurement procedures to control the material features. One of the most crucial reasons of graphene’s limited commercialization is the lack of standard procedures to properly characterize and define the material chemical and structural properties down to the nanometer level. This leads to many issues regarding material synthesis repeatability, inappropriateness choice of measurands and measurement reproducibility which heavily affect the consistency of the material performance. For example, among all the different industrially produced real-world graphene, it is crucial to determine how many layers of graphene build the material. Products that are built by more than 10 layers should be more correctly referred as nanosized graphite, a problem that is often regarded as the “fake graphene” issue.
In our study, a comparative analysis is performed on two different series (G5 and G6) of industrial graphene powders, each series produced with four types of functionalization: raw graphene, oxygen-functionalized, nitrogen-functionalized and fluorine-functionalized. All the 8 sample variants were analyzed from a chemical and morphological point of view in the form of powders prepared as slightly pressed in metallic sample holders.
The results of the comparative chemical analyses XPS and EDS show a good agreement in the concentration values for all the elements present in the samples, despite the different analysis volumes addressed by the two techniques. For this reason, the samples can be considered homogeneous in both lateral and vertical direction.
A clear influence of the morphology on the composition is evident. Therefore, such correlative measurements of morphology and composition are necessary for a comprehensive characterization of industrial graphene flakes. Protocols for reliable characterization of industrial graphene flakes are in progress.
T2 - Microscopy and Microanalysis 2022
CY - Portland, OR, USA
DA - 31.07.2022
KW - Graphene powder
KW - Functionalized graphene
KW - XPS
KW - SEM
KW - EDS
PY - 2022
AN - OPUS4-55479
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Chemello, Giovanni
T1 - Measurement of the morphology of graphene related 2D materials as flakes
N2 - The presentation shows the results of the mini-interlaboratory comparison focused on the measurement of the morphology of graphene oxide flakes using scanning electron microscopy. In this work, a route for the sample preparation, SEM measurement and image analysis is proposed. The results of the image analysis, performed on 200+ flakes per sample, are presented by comparing the distributions of the size and shape descriptors calculated according to two different approaches. The influences of a different SEM measurement operator, analysis approach and analysis operator on the final size and shape distributions are highlighted.
T2 - EMRS Fall 2023
CY - Warsaw, Poland
DA - 18.09.2023
KW - Graphene oxide
KW - SEM
KW - 2D flakes
KW - Image analysis
PY - 2023
AN - OPUS4-58752
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Chemello, Giovanni
T1 - Characterization of Graphene using HAXPES
N2 - Since its discovery, graphene has got growing attention in the industrial and application research due to its unique properties . However, graphene has not been yet implemented into the industrial market, in particularly due to the difficulty of properly characterizing this challenging material. As most of other nanomaterials, graphene’s properties are closely linked to its chemical and structural properties, such as number of layers, flake thickness, degree of functionalisation and C/O ratio. For the commercialization, suitable procedures for the measurement and characterization of the ultrathin flakes, of lateral dimensions in the range from µm to tens of µm, are essential.Surface chemical methods, especially XPS, have an outstanding role of providing chemical information on the composition. Thereby, one well-known problem for surface analytical methods is the influence of contamination on the composition as in the case of adventitious carbon. The differentiation between carbon originated from the contamination or from the graphene sample itself is often not obvious, which can lead to altered results in the determination of the composition. To overcome this problem, Hard Energy X-ray Photoelectron Spectroscopy (HAXPES) offers new possibilities due to its higher information depth. Therefore, XPS measurement obtained with Al Kα radiation (E = 1486. 6 eV) were compared with analyses performed with a Cr Kα (E = 5414. 8 eV) excitation on functionalized graphene samples. Differences are discussed in terms of potential carbon contamination, but also of oxygen on the composition of the samples. Measurements are performed on O-, N- and F-functionalized graphene. Different preparation procedures (powder, pellet, drop cast from liquid suspension) will be also discussed, correlation of the results with the flakes morphology as well as their validation with other independent methods are in progress.
T2 - ECASIA 2022
CY - Limerick, Ireland
DA - 29.05.2022
KW - Graphene
KW - Functionalized graphene
KW - Depth profiling
PY - 2022
AN - OPUS4-56814
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Chemello, Giovanni
T1 - Towards Reproducible Analysis Workflows for Reliable Structural and Chemical Composition of Industrial Graphene
N2 - The scientific and technological interest in graphene has been growing more and more in the late years due to its outstanding properties and diverse promising applications. However, graphene implementation into the industrial market is still limited and many challenges are yet to be addressed before this material can become suitable for the large-scale production. One of the most crucial challenge to overcome is to develop reliable and reproducible ways to characterize the material properties which can heavily affect the product performance. In our study the chemical composition of nine different samples of industrial graphene, graphene oxide and functionalized graphene were investigated. The samples were analysed both in form of powder and pellets. A comparative characterisation of the chemical composition was performed through X-ray Photoelectron Spectroscopy (XPS) and Energy Dispersive X-ray Spectroscopy (EDX). XPS depth resolution is in the order of 10 nm, while for EDX the analysis was performed at two different energy levels, i.e. 5 keV and 15 keV, and thus varying the analysis depth from 200 nm to 2000 nm. The XPS measurement area is 300x700 µm² while the EDX measurement was performed by analysing a grid of 25 locations (5x5) of 150 x 150 ?m2 area, covering the whole pellet surface of 5 mm diameter and then calculating the mean of the elemental concentration. The results of the elemental concentration values from XPS and EDX analyses show a good agreement for all the elements presents in the samples, despite the different spatial resolutions of the two techniques. Therefore, the samples appear homogeneous both in the lateral and vertical directions. The results relative to powder and pellets samples do not differ in a significant way except for a slight increase in the carbon content regarding the pellet samples, probably due to a minor contamination effect introduced through pressing. Nevertheless, pellets samples appear to be quite representative for the material while being much more convenient in terms of handling and safety compared to nano-powders and providing a regular flat surface for EDX analysis. Finally, this approach correlating XPS and EDS represents a simple, fast and reliable way for characterizing the chemical composition and the homogeneity of industrial graphene. This study is part of the project Standardisation of structural and chemical properties of graphene (ISO-G-SCoPe) which has received funding from the EMPIR programme co-financed by the Participating States and from the European Union?s Horizon 2020 research and innovation programme under Grant agreement No. 19NRM04.
T2 - SALSA Make and Measure... and Machines
CY - Online meeting
DA - 16.09.2021
KW - Graphene
KW - XPS
KW - EDX
KW - Graphene functionalisation
PY - 2021
UR - https://fakultaeten.hu-berlin.de/en/mnf/forschung_internationales/grs/salsa/SALSA_MM
AN - OPUS4-53463
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Chemello, Giovanni
T1 - Correlative analysis through XPS and EDX measurements for accurate chemical composition of industrial Graphene
N2 - The scientific and technological interest in graphene has been growing more and more in the late years due to its outstanding properties and diverse promising applications. However, graphene implementation into the industrial market is still limited and many challenges are yet to be addressed before this material can become suitable for the large-scale production. One of the most crucial challenge to overcome is to develop reliable and reproducible ways to characterize the material properties which can heavily affect the product performance. In our study the chemical composition of nine different samples of industrial graphene, graphene oxide and functionalized graphene were investigated. The samples were analysed both in form of powder and pellets. A comparative characterisation of the chemical composition was performed through X-ray Photoelectron Spectroscopy (XPS) and Energy Dispersive X-ray Spectroscopy (EDX). XPS depth resolution is in the order of 10 nm, while for EDX the analysis was performed at two different energy levels, i.e. 5 keV and 15 keV, and thus varying the analysis depth from 200 nm to 2000 nm. The XPS measurement area is 300x700 µm² while the EDX measurement was performed by analysing a grid of 25 locations (5x5) of 150 x 150 ?m2 area, covering the whole pellet surface of 5 mm diameter and then calculating the mean of the elemental concentration. The results of the elemental concentration values from XPS and EDX analyses show a good agreement for all the elements presents in the samples, despite the different spatial resolutions of the two techniques. Therefore, the samples appear homogeneous both in the lateral and vertical directions. The results relative to powder and pellets samples do not differ in a significant way except for a slight increase in the carbon content regarding the pellet samples, probably due to a minor contamination effect introduced through pressing. Nevertheless, pellets samples appear to be quite representative for the material while being much more convenient in terms of handling and safety compared to nano-powders and providing a regular flat surface for EDX analysis. Finally, this approach correlating XPS and EDS represents a simple, fast and reliable way for characterizing the chemical composition and the homogeneity of industrial graphene. This study is part of the project ?Standardisation of structural and chemical properties of graphene? (ISO-G-SCoPe) which has received funding from the EMPIR programme co-financed by the Participating States and from the European Union?s Horizon 2020 research and innovation programme under Grant agreement No. 19NRM04.
T2 - 2021 Fall Meeting of the European Materials Research Society (E-MRS)
CY - Online meeting
DA - 20.9.2021
KW - Graphene
KW - XPS
KW - EDS
KW - Standardisation
KW - Graphene functionalization
PY - 2021
UR - https://www.european-mrs.com/meetings/2021-fall-meeting
AN - OPUS4-53462
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Chatti, Saber
T1 - Chemical modification of lignin by functional polymers: towards specific green phases for the adsorption of organic pollutants in water
N2 - Lignin is a highly aromatic low value biomass residue, which can be utilized for chemicals, fuels and materials production. In recent years, significant attention has focused on adsorber materials based on lignin. However, only 5% of the available lignin is exploited worldwide, thus significant opportunities for materials development still exist. Lignin has been vastly utilized as a feedstock for the synthesis of adsorbers for the removal of dyes and toxic organic molecules . To improve adsorption capacity, lignin can be chemically modified with oxygen-, nitrogen-, or sulfur-containing functional groups. Most frequently the phenolic groups of lignin were modified. In order to extend the application of lignin as adsorbers, we are especially interested in the chemical modification of this natural resource with a bio-based linear difluoro oligomers LOx (di- or monofunctional) or a heterocyclic monomer (Figure).
T2 - 12. Journees maghreb-europe. Matériaux et Applications aux Dispositifs et Capteurs
CY - Monastir, Tunisia
DA - 08.11.2022
KW - Lignin
KW - Biobased polymers
KW - Modification
PY - 2022
AN - OPUS4-56238
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Chapartegui-Arias, Ander
A1 - Raysyan, A.
A1 - Belenguer, A. M.
A1 - Jaeger, Carsten
A1 - Tchipilov, Teodor
A1 - Prinz, Carsten
A1 - Abad Andrade, Carlos Enrique
A1 - Beyer, S.
A1 - Schneider, Rudolf
A1 - Emmerling, Franziska
T1 - Tailored mobility in a zeolite imidazolate framework (ZIF) antibody conjugate
N2 - Zeolitic imidazolate framework (ZIF) hybrid fluorescent nanoparticles and ZIF antibody conjugates have been synthesized, characterized, and employed in lateral-flow immunoassay (LFIA). The bright fluorescence of the conjugates and the possibility to tailor their mobility gives a huge potential for diagnostic assays. An enzyme-linked immunosorbent assay (ELISA) with horseradish peroxidase (HRP) as label, proved the integrity, stability, and dispersibility of the antibody conjugates, LC-MS/MS provided evidence that a covalent link was established between these metal-organic frameworks and lysine residues in IgG antibodies.
KW - ZIF
KW - ELISA
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-532096
DO - https://doi.org/10.1002/chem.202100803
SN - 0947-6539
SN - 1521-3765
VL - 27
IS - 36
SP - 9414
EP - 9421
PB - Wiley-VCH
CY - Weinheim
AN - OPUS4-53209
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Chandna, Sanjam
A1 - Povolotsky, Tatyana L.
A1 - Nie, Chuanxiong
A1 - Schwartz, Sophia
A1 - Wedepohl, Stefanie
A1 - Quaas, Elisa
A1 - Ludwig, Kai
A1 - Boyakova, Yulia
A1 - Bhatia, Sumati
A1 - Meyer, Klas
A1 - Falkenhagen, Jana
A1 - Haag, Rainer
A1 - Block, Stephan
T1 - Lignin-Based Mucus-Mimicking Antiviral Hydrogels with Enzyme Stability and Tunable Porosity
N2 - Mucus is a complex hydrogel that acts as a defensive and protective barrier in various parts of the human body. Therise in the level of viral infections has underscored the importance of advancing research into mucus-mimicking hydrogels for theefficient design of antiviral agents. Herein, we demonstrate the gram-scale synthesis of biocompatible, lignin-based virus-bindinginhibitors that reduce waste and ensure long-term availability. The lignin-based inhibitors are equipped with sulfate moieties, whichare known binding partners for many viruses, including SARS-CoV-2 and herpes viruses. In addition, cross-linking the synthesizedinhibitors yielded hydrogels that mimicked native mucus concerning surface functionality and rheology. The degree of sulfationexhibits a very strong impact on the mesh size distribution of the hydrogels, which provides a new means to fine-tune the steric andelectrostatic contributions of the virus−hydrogel interaction. This feature strongly impacts the sequestration capability of the lignin-based hydrogels, which is demonstrated by infection inhibition assays involving human herpes simplex virus 1, influenza A viruses,and the bacterium Escherichia coli (E. coli). These measurements showed a reduction in plaque-forming units (HSV-1) and colony-forming units (E. coli) by more than 4 orders of magnitude, indicating the potent inhibition by the lignin-based hydrogels
KW - Lignin functionalization
KW - Mucus-mimicking hydrogels
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-625301
DO - https://doi.org/10.1021/acsami.4c18519
SP - 1
EP - 14
PB - American Chemical Society (ACS)
CY - USA
AN - OPUS4-62530
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Chambers, M. S.
A1 - Hunter, R. D.
A1 - Hollamby, M. J.
A1 - Pauw, Brian Richard
A1 - Smith, A. J.
A1 - Snow, T.
A1 - Danks, A. E.
A1 - Schnepp, Z.
T1 - In Situ and Ex Situ X‑ray Diffraction and Small-Angle X‑ray Scattering Investigations of the Sol−Gel Synthesis of Fe3N and Fe3C
N2 - Iron nitride (Fe3N) and iron carbide (Fe3C) nanoparticles can be prepared via sol−gel synthesis. While sol−gel methods are simple, it can be difficult to control the crystalline composition, i.e., to achieve a Rietveld-pure product. In a previous in situ synchrotron study of the sol−gel synthesis of Fe3N/Fe3C, we showed that the reaction proceeds as follows:
Fe3O4 → FeOx → Fe3N → Fe3C. There was considerable overlap between the different phases, but we were unable to ascertain whether this was due to the experimental setup (side-on heating of a quartz capillary which could lead to thermal gradients) or whether individual particle reactions proceed at different rates. In this paper, we use in situ wide- and small-angle X-ray scattering (wide-angle X-ray scattering (WAXS) and small-angle X-ray scattering (SAXS)) to demonstrate that the overlapping phases are indeed due to variable reaction rates. While the initial oxide nanoparticles have a small range of diameters, the size range expands considerably and very rapidly during the oxide−nitride transition. This has implications for the isolation of Rietveld-pure Fe3N, and in an extensive laboratory study, we were indeed unable to isolate phasepure Fe3N. However, we made the surprising discovery that Rietveld-pure Fe3C nanoparticles can be produced at 500 °C with a sufficient furnace dwell time. This is considerably lower than the previous reports of the sol−gel synthesis of Fe3C nanoparticles.
KW - Small-angle X-ray Scattering
KW - SAXS
KW - Diffraction
KW - XRD
KW - Scattering
KW - Sol-gel
KW - Iron nitride
KW - Nanoparticles
KW - Iron carbide
KW - Catalyst
KW - In-situ
KW - Ex-situ
KW - Synthesis
KW - Synchrotron
PY - 2022
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-548226
DO - https://doi.org/10.1021/acs.inorgchem.1c03442
VL - 61
IS - 18
SP - 6742
EP - 6749
PB - ACS Publications
CY - Washington
AN - OPUS4-54822
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Chambers, Aaron
T1 - Synthesis of ZIF nanoparticles with functionalisation towards effective composite formation
N2 - A presentation on functionalising ZIF-8 nanoparticles for composite formation. Characterisation data for the nanoparticles is shown.
T2 - Materials Chemistry Seminar
CY - Online meeting
DA - 23.02.23
KW - MOF composite
KW - Nanoparticles
KW - ZIF-8
PY - 2023
AN - OPUS4-57210
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Chambers, Aaron
T1 - Synthesis of functionalized ZIF nanoparticles for effective composite formation
N2 - A presentation looking at ZIF-8 nanoparticles and functionalising them for more effective ZIF composite formation.
T2 - UoB/BAM mini conference
CY - Birmingham, UK
DA - 06.10.2022
KW - MOF composite
KW - 2PP
KW - ZIF-8
KW - Nanoparticles
PY - 2022
AN - OPUS4-56482
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Chambers, Aaron
T1 - Using an automation assisted Synthesis to produce functionalized ZIF-8 nanoparticles for effective composite formation
N2 - This presentation details the progress of the PhD project so far. It discuss the background of the project such as what is a MOF, ZIF and ZIF composite before discussing the aims and approaches for the work. Then the presentation looks at the data obtained so far and the techniques/syntheses used.
T2 - Postgraduate Researcher Symposium, University of Birmingham
CY - Online meeting
DA - 27.06.2023
KW - Automation
KW - Nanoparticles
KW - ZIF-8
KW - Composites
PY - 2023
AN - OPUS4-57867
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Chakraborty, P.
A1 - Mouton, I.
A1 - Gault, B.
A1 - Tehranchi, Ali
A1 - Neugebauer, J.
A1 - Hickel, Tilmann
T1 - Effect of Sn on stacking fault energies in zirconium and its hydrides
N2 - Hydrogen embrittlement in Zr-alloy fuel cladding is a primary safety concern for water-based nuclear reactors. Here we investigated the stabilization of planar defects within the forming hydrides by Sn, the primary alloying element of Zircaloy-4 used in the cladding. In order to explain the formation of hydrides and planar defects observed in our experiments, we performed atomic-scale ab initio calculations focusing on the solute interactions with generalized stacking faults in hcp 𝛼-Zr and fcc zirconium hydrides. Our calculations showed that an increase in Sn concentration leads to a stabilization of stacking faults in both the 𝛼-Zr and hydride phases. However, the solution enthalpy of Sn is lower in the 𝛼-Zr as compared to the other hydride phases, indicative of two competing processes of Sn depletion/enrichment at the Zr hydride/matrix interface. This is corroborated by experimental findings, where Sn is less soluble in hydrides and is mostly found trapped at interfaces and planar defects, indicative of stacking faults inside the hydride phases. Our systematic investigation enables us to understand the presence and distribution of solutes in the hydride phases, which provides a deeper insight into the microstructural evolution of such alloy's properties during its service lifetime.
KW - Defects
KW - First-principles calculations
KW - Interface and surface thermodynamics
KW - Microstructure
KW - Hydrides
KW - Structural properties
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-618044
DO - https://doi.org/10.1103/PhysRevMaterials.8.033605
SN - 2475-9953
VL - 8
IS - 3
SP - 1
EP - 9
PB - APS
AN - OPUS4-61804
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Chakraborty, Gouri
A1 - Das, Prasenjit
A1 - Bhattacharya, Biswajit
A1 - Prinz, Carsten
A1 - Emmerling, Franziska
A1 - Thomas, Arne
T1 - Room-temperature superprotonic conductivity in COOH-functionalized multicomponent covalent organic frameworks
N2 - In solid materials, the development of hydrogen bonding (H-bonding) networks within pores is crucial for efficient proton conductance. In this study, a chemically stable carboxylic acid-functionalized, quinoline-linked 2D microporous covalent organic framework (COF) (Qy-COOH) was synthesized using the Doebner multicomponent reaction (MCR) and compared to a similar framework lacking the –COOH functionality (Qy-H), prepared via an MC Domino reaction. The proton conductivity of the –COOH-functionalized MCR-COF was significantly enhanced, reaching 10−2 S cm−1, attributed to strong H-bonding interactions between water molecules and the dangling –COOH groups within the COF pores. In contrast, the analogous Qy-H framework exhibited a much lower proton conductivity of 10−5 S cm−1, while an imine-based COF showed only 10−6 S cm−1. This work represents the first demonstration of a general strategy to achieve efficient proton conduction in a class of layered 2D –COOH-functionalized COFs, offering superprotonic conductivity without requiring additives at room temperature. The MCR-COF design approach provides a promising pathway for developing highly stable and high-performance proton-conducting materials.
KW - Multicomponebt
KW - COF
KW - Proton Conductivity
KW - Superprotonic
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653526
DO - https://doi.org/10.1039/D5SC06953J
SN - 2041-6520
SP - 1
EP - 9
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-65352
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 - Chabbah, T.
A1 - Chatti, S.
A1 - Zouaoui, F.
A1 - Jlalia, A.
A1 - Gaiji, H.
A1 - Abderrazak, H.
A1 - Casablanca, H.
A1 - Mercier, R.
A1 - Weidner, Steffen
A1 - Errachid, A.
A1 - Marestin, C.
A1 - Jaffrezic-Renault, N.
T1 - New poly(ether-phosphoramide)s sulfides based on green resources as sensitive films for the specific impedimetric detection of nickel ions
N2 - For the development of selective and sensitive chemical sensors, we have developed a new family of poly(etherphosphoramide) polymers. These polymers were obtained with satisfactory yields by nucleophilic aromatic polycondensation using isosorbide as green resources, and bisphenol A with two novel difluoro phosphinothioic amide monomers. Unprecedented, the thiophosphorylated aminoheterocycles monomers, functionalized with two heterocyclic amine, N-methylpiperazine and morpholine were successfully obtained by nucleophilic substitution reaction of P(S)–Cl compound. The resulting polymers were characterized by different analytical techniques (NMR, MALDI–ToF MS, GPC, DSC, and ATG). The resulting partially green polymers, having tertiary phosphine sulfide with P–N side chain functionalities along the main chain of polymers are the sensitive film at the surface of a gold electrode for the impedimetric detection of Cd, Ni, Pb and Hg. The bio-based poly(etherphosphoramide) functionalized with N-methylpiperazine modified sensor showed better analytical performance
than petrochemical based polymers for the detection of Ni2+. A detection limit of 50 pM was obtained which is very low compared to the previously published electrochemical sensors for nickel detection.
KW - Poly(ether-phosphoramide)s sulfides
KW - Green chemistry
KW - Polymer film
KW - MALDI TOF MS
PY - 2022
DO - https://doi.org/10.1016/j.talanta.2022.123550
VL - 247
IS - 123550
SP - 1
EP - 9
PB - Elsevier B.V.
AN - OPUS4-54980
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Chabbah, T.
A1 - Chatti, S.
A1 - Jaffrezic-Renault, N.
A1 - Weidner, Steffen
A1 - Marestin, C.
A1 - Mercier, R.
T1 - Impedimetric sensors based on diethylphosphonate-containingpoly(arylene ether nitrile)s films for the detection of lead ions
N2 - This article describes the elaboration and characterization of diethylphosphonate-containing polymers coated electrodes as sensors for the detection of heavy metalstraces, by electrochemical impedance spectroscopy. Diethylphosphonate groupswere chosen as heavy metals binding sites. Two different series of polymers bearingthese anchoring groups were synthesized. Whereas the diethylphosphonate groupsare directly incorporated in the aromatic macromolecular chain in some polymers, analiphatic spacer is removing the chelating site from the polymer backbone in others.The influence of the macromolecular structure on the sensing response was studied,especially for the detection of Pb2+,Ni2+,Cd2+and Hg2+. Polymer P6, including thehigher amount of diethylphosphonate groups removed from the polymer chain by ashort alkyl spacer gave the higher sensitivity of detection of lead ions, with a detec-tion limit of 50 pM
KW - Heavy metals
KW - Phosphonate esters
KW - Lead ions
KW - MALDI TOF MS
PY - 2023
DO - https://doi.org/10.1002/pat.6065
SN - 1042-7147
SP - 1
EP - 11
PB - John Wiley & Sons, Ltd
AN - OPUS4-57356
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Casali, Lucia
A1 - Carta, Maria
A1 - Michalchuk, Adam
A1 - Delogu, Francesco
A1 - Emmerling, Franziska
T1 - Kinetics of the mechanically induced ibuprofen–nicotinamide co-crystal formation by in situ X-ray diffraction
N2 - Mechanochemistry is drawing attention from the pharmaceutical industry given its potential for sustainable material synthesis and manufacture. Scaling mechanochemical processes to industrial level remains a challenge due to an incomplete understanding of their underlying mechanisms. We here show how time-resolved in situ powder X-ray diffraction data, coupled with analytical kinetic modelling, provides a powerful approach to gain mechanistic insight into mechanochemical reactions. By using the ibuprofen–nicotinamide co-crystal mechanosynthesis as a benchmark system, we investigate the behaviour of the solids involved and identify the factors that promote the reaction. As mechanochemical mechanisms become increasingly clear, it promises to become a breakthrough in the industrial preparation of advanced pharmaceuticals.
KW - Mechanochemistry
KW - Kinetics
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608820
DO - https://doi.org/10.1039/D4CP01457J
SN - 1463-9084
VL - 26
SP - 22041
EP - 22048
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-60882
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Casali, Lucia
T1 - Use of the solvent-free mechanochemical method for a sustainable preparation of pharmaceuticals
N2 - With the growing interest in environmental issues on the part of governments and institutions, pharmaceutical industries are asked to reduce their environmental footprint. Given the major impact related to the use of solvents, the development of methodologies less solvent demanding is nowadays even more urgent. In light of that, mechanochemistry would be a suitable solvent-free technology since it promotes the activation of the chemical reactions between (generally) solid materials via inputs of mechanical energy. Since such reactions may occur outside the kinetic and thermodynamic rules of conventional solution chemistry, the main limit of mechanochemistry is the poor mechanistic understanding of the solid-state transformations involved, which is still hindering a widespread use of the method, as well a scale-up to the industrial level. However, the development of methods for real-time monitoring of the mechanochemical reactions enables obtaining (in)accessible information on reaction intermediates, new products, or reaction time, thus getting closer to a better understanding of the mechanistic behaviour. With the rules of this chemistry becoming increasingly clear, the new reaction pathways of mechanochemistry wouldn’t represent a limit anymore, but an asset, that may lead to lot of opportunities for the pharmaceutical industry.
T2 - Post Doc Day Berlin
CY - Berlin, Germany
DA - 02.11.2023
KW - Mechanochemistry
KW - Sustainability
KW - Pharmaceuticals
PY - 2023
AN - OPUS4-59010
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Casali, Lucia
T1 - Kinetics of the mechanically induced ibuprofen-nicotinamide co-crystal formation by in-situ X-ray diffraction
N2 - Mechanochemistry offers sustainable synthesis for pharmaceuticals, though scaling remains challenging. By combining time-resolved in situ X-ray diffraction with kinetic modeling on the mechanosynthesis of the co-crystal ibuprofen-nicotinamide, we identified the reaction-driving factors. This deeper insight opens the way for a scale-up of mechanochemistry in the pharmaceutical industry.
T2 - CGOM15 (15th International Workshop on Crystal Growth of Organic Materials)
CY - Phuket, Thailand
DA - 23.07.2024
KW - Mechanochemistry
KW - Kinetics
KW - In-situ monitoring
PY - 2024
AN - OPUS4-61756
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Casali, Lucia
T1 - Kinetics of the mechanically induced ibuprofen-nicotinamide co-crystal formation by in-situ X-ray diffraction
N2 - Mechanochemistry offers sustainable synthesis for pharmaceuticals, though scaling remains challenging. By combining time-resolved in situ X-ray diffraction with kinetic modeling on the mechanosynthesis of the co-crystal ibuprofen-nicotinamide, we identified the reaction-driving factors. This deeper insight opens the way for a scale-up of mechanochemistry in the pharmaceutical industry.
T2 - BESSY User meeting
CY - Berlin, Germany
DA - 11.12.2024
KW - Mechanochemistry
KW - Kinetics
KW - In-situ monitoring
PY - 2024
AN - OPUS4-62193
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Casali, L.
A1 - Broll, V.
A1 - Ciurili, S.
A1 - Braga, D.
A1 - Emmerling, Franziska
A1 - Gepioni, F.
T1 - Facilitating Nitrification Inhibition through Green, Mechanochemical Synthesis of a Novel Nitrapyrin Complex
N2 - Nitrapyrin (NP) is applied to cultivated soils to inhibit the enzymatic activity of ammonia monooxygenase (AMO), but its poor aqueous solubility and high volatility severely limit its application. β-Cyclodextrin (β-CD) is commonly used to form inclusion complexes with hydrophobic molecules, improving water solubility and stability upon complexation. Here we report on the mechanochemical synthesis of the inclusion complex β-CD·NP, characterized via a combination of solid-state techniques, including exsitu and in situ X-ray diffraction, Raman and NMR spectroscopies, transmission electron microscopy, and energy dispersive X-ray spectroscopy. The pure inhibitor NP was also structurally characterized. The β-CD·NP complex presents improved solubility and thermal stability, and still inhibits the enzymatic activity of AMO with high efficacy. All results indicate that the inclusion of NP into β-CD represents a viable route for the preparation of a novel class of inhibitors, with improved properties related to stability, water solubility, and good inhibition activity.
KW - Mechanochemistry
KW - Nitrification
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-537154
DO - https://doi.org/10.1021/acs.cgd.1c00681
SN - 1528-7505
VL - 21
IS - 10
SP - 5792
EP - 5799
PB - ACS Publications
AN - OPUS4-53715
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Casali, C.
A1 - Feiler, Torvid
A1 - Heilmann, Maria
A1 - Braga, D.
A1 - Emmerling, Franziska
A1 - Grepioni, F.
T1 - Too much water? Not enough? In situ monitoring of the mechanochemical reaction of copper salts with dicyandiamide
N2 - n situ monitoring of mechanochemical reactions between dicyandiamide (DCD) and CuX2 salts (X = Cl−, NO3−), for the preparation of compounds of agrochemical interest, showed the appearance of a number of phases. It is demonstrated that milling conditions, such as the amount of water added in wet grinding and/or the milling frequency, may affect the course of the mechanochemical reactions, and drive the reaction towards the formation of different products. It has been possible to discover by in situ monitored experiments two novel crystalline forms, namely the neutral complexes [Cu(DCD)2(OH2)2(NO3)2] (2) and [Cu(DCD)2(OH2)Cl2]·H2O (4), in addition to the previously known molecular salt [Cu(DCD)2(OH2)2][NO3]2·2H2O (1, DIVWAG) and neutral complex [Cu(DCD)2(OH2)Cl2] (3, AQCYCU), for which no synthesis conditions were available. Compounds 2 and 4 were fully characterized via a combination of solid-state techniques, including X-ray diffraction, Raman spectroscopy and TGA.
KW - Mechanochemistry
KW - In situ
PY - 2022
DO - https://doi.org/10.1039/d1ce01670a
VL - 24
IS - 6
SP - 1292
EP - 1298
PB - RSC
AN - OPUS4-54344
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Cant, D. J. H.
A1 - Müller, Anja
A1 - Clifford, C. A.
A1 - Unger, Wolfgang
A1 - Shard, A. G.
T1 - Summary of ISO/TC 201 Technical Report 23173—Surface chemical analysis—Electron spectroscopies—Measurement of the thickness and composition of nanoparticle coatings
N2 - ISO Technical Report 23173 describes methods by which electron spectroscopies, including X-ray photoelectron spectroscopy (XPS), Auger electron spectroscopy (AES) and synchrotron techniques, can be employed to calculate the Coating thicknesses and compositions of nanoparticles. The document has been developed to review and outline the current state-of-the-art for such measurements. Such analyses of core–shell nanoparticles are common within the literature, however the
methods employed are varied; the relative advantages and disadvantages of These methods, and the optimal usage of each may not be clear to the general analyst. ISO Technical Report 23173 aims to clarify the methods that are available, describe them in clear terms, exhibit examples of their use, and highlight potential issues users may face. The information provided should allow analysts of electron spectroscopy data to make clear choices regarding the appropriate analysis of electron spectroscopy data from coated nanoparticle systems and provide a basis for understanding and comparing results from different methods and systems.
KW - Electron spectroscopy
KW - Core-shell
KW - Nanoparticles
KW - ISO 23173
KW - XPS
KW - Thickness
KW - Composition
PY - 2021
DO - https://doi.org/10.1002/sia.6987
SN - 0142-2421
VL - 53
IS - 10
SP - 893
EP - 899
PB - John Wiley & Sons Ltd
AN - OPUS4-52976
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Cant, D. J. H.
A1 - Minelli, C.
A1 - Sparnacci, K.
A1 - Müller, Anja
A1 - Kalbe, H.
A1 - Stoger-Pollach, M.
A1 - Unger, Wolfgang
A1 - Werner, W. S. M.
A1 - Shard, A. G.
T1 - Surface-Energy Control and Characterization of Nanoparticle Coatings
N2 - Accurate and reproducible measurement of the structure and properties of high-value nanoparticles is extremely important for their commercialization. A significant proportion of engineered nanoparticle systems consist of some form of nominally core-shell structure, whether by design or unintentionally. Often, these do not form an ideal core-shell structure, with typical deviations including polydispersity of the core or shell, uneven or incomplete shells, noncentral cores, and others. Such systems may be created with or without intent, and in either case an understanding of the conditions for formation of such particles is desirable. Precise determination of the structure, composition, size, and shell thickness of such particles can prove challenging without the use of a suitable range of characterization techniques. Here, the authors present two such polymer core-shell nanoparticle systems, consisting of polytetrafluoroethylene cores coated with a range of thicknesses of either polymethylmethacrylate or polystyrene. By consideration of surface energy, it is shown that these particles are expected to possess distinctly differing coating structures, with the polystyrene coating being incomplete. A comprehensive characterization of these systems is demonstrated, using a selection of complementary techniques including scanning electron microscopy, scanning transmission electron microscopy, thermogravimetric analysis, dynamic light scattering, differential centrifugal sedimentation, and X-ray photoelectron spectroscopy. By combining the results provided by these techniques, it is possible to achieve superior characterization and understanding of the particle structure than could be obtained by considering results separately.
KW - Nanoparticles
KW - Core-shell
KW - XPS
KW - Size
KW - Thickness
KW - Damage
PY - 2020
DO - https://doi.org/10.1021/acs.jpcc.0c02161
VL - 124
IS - 20
SP - 11200
EP - 11211
PB - ACS
CY - Washington DC
AN - OPUS4-50899
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Cano Murillo, Natalia
A1 - Szymoniak, Paulina
A1 - Smales, Glen Jacob
A1 - Sturm, Heinz
A1 - Schönhals, Andreas
T1 - Electrospun nanocomposites fibers of polycarbonate and taurine modified boehmite nanoparticles - What can be learned from structural and thermal investigations
N2 - Though the reinforcing properties of inorganic particles in thermosetting nanocomposites, has been exploited, the integration of nanoparticles continues to be challenging in terms of their homogeneous distribution and their manipulation which can contribute to occupational hazards. Due to a second encapsulations of nanoparticles, electrospun nanocomposite fibers containing nanoparticles might be an alternative for overcoming these issues, as the fiber nonwovens contains the nanoparticles allowing for safer manipulation. Here, the morphology, and the thermal properties of electrospun polycarbonate fibers containing taurine modified boehmite nanoparticles (BNP) are investigated by means of small and wide-angle X-ray scattering as well as fast scanning and temperature modulated fast scanning calorimetry for the first time. The latter techniques allow the investigation of the thermal properties of single fibers at heating rates up to 10^4 K s^-1 keeping its structure intact. A quantitative analysis of the scattering data reveals a porous structure of the fibers. The porous structure is quantified regarding the pore volume and the pore size. A constant amount of aggregation is found even for the highly BNP loaded fibers. Thermal analysis on the fibers reveals a rigid amorphous fraction (RAF) where it is known that RAF determinates the properties of a nanocomposite to a large extent. For the fibers RAF amounts up to 40 wt%, which is essential higher compared to equally formulated PC/BNP composite cast films. The RAF in the case of the fibers, is not only due to the presence of particles in the polymer but also due to orientation effects induced by the electrospinning process.
KW - Nanocomposite fibers
KW - Electrospinning
KW - X-ray scattering
KW - Fast scanning calorimetry
KW - Rigid amorphous fraction
PY - 2021
DO - https://doi.org/10.1021/acsapm.1c01265
VL - 3
IS - 12
SP - 6572
EP - 6585
PB - ACS
AN - OPUS4-53871
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - GEN
A1 - Cano Murillo, Natalia
A1 - Ghasem Zadeh Khorasani, Media
A1 - Silbernagl, Dorothee
A1 - Hahn, Marc Benjamin
A1 - Hodoroaba, Vasile-Dan
A1 - Sturm, Heinz
T1 - Cover image for the article "Nanomechanical study of polycarbonate/boehmite nanoparticles/epoxy ternary composite and their interphases"
N2 - The image designed by Natalia Cano Murillo and colleagues shows the cross section of a ternary composite (boehmite/polycarbonate/epoxy, 80μm x 80μm). The surface was measured by AFM kelvin probe microscopy, yielding the surface potential which is shown as 3D‐surface and contour lines. The sample was further subjected to AFM force spectroscopy with a lateral resolution of 1μm², yielding the local Young's modulus, projected in false colors on the 3D surface. The ternary system, containing boehmite nanoparticles, shows a broad distribution of modulus, desirable for optimized macroscopic mechanical properties, such as high stiffness as well as toughness.
KW - Boehmite
KW - Epoxy
KW - Polycarbonate
KW - AFM
KW - BNP
PY - 2020
DO - https://doi.org/10.1002/app.50400
SN - 0021-8995
SN - 1097-4628
VL - 138
IS - 12
SP - 1
PB - Wiley
CY - New York, NY
AN - OPUS4-51831
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Cano Murillo, Natalia
A1 - Ghasem Zadeh Khorasani, Media
A1 - Silbernagl, Dorothee
A1 - Hahn, Marc Benjamin
A1 - Hodoroaba, Vasile-Dan
A1 - Sturm, Heinz
T1 - Nanomechanical study of polycarbonate/boehmite nanoparticles/epoxy ternary composite and their interphases
N2 - Thermoplastic modified thermosets are of great interest especially due to their improved fracture toughness. Comparable enhancements have been achieved by adding different nanofillers including inorganic particles such as nanosized boehmite. Here, we present a nanomechanical study of two composite systems, the first comprising a polycarbonate (PC) layer in contact with epoxy resin (EP) and the second consisting of a PC layer containing boehmite nanoparticles (BNP) which is also in contact with an EP layer. The interaction between PC and EP monomer is tested by in situ Fourier transformed infrared (FT-IR) analysis, from which a reaction induced phase separation of the PC phase is inferred. Both systems are explored by atomic force microscopy (AFM) force spectroscopy. AFM force-distance curves (FDC) show no alteration of the mechanical properties of EP at the interface to PC. However, when a PC phase loaded with BNP is put in contact with an epoxy system during curing, a considerable mechanical improvement exceeding the rule of mixture was detected.
The trend of BNP to agglomerate preferentially around EP dominated regions and the stiffening effect of BNP on EP shown by spatial resolved measurements of Young's modulus, suggest the effective presence of BNP within the EP phase.
KW - Composites
KW - Mechanical properties
KW - Nanoparticles
KW - Thermoplastics
KW - Thermosets
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-515965
DO - https://doi.org/10.1002/app.50231
SN - 0021-8995
SN - 1097-4628
VL - 138
IS - 12
SP - 1
EP - 11
PB - Wiley
CY - New York, NY
AN - OPUS4-51596
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Cano Murillo, Natalia
A1 - Ghasem Zadeh Khorasani, Media
A1 - Silbernagl, Dorothee
A1 - Emamverdi, Farnaz
A1 - Cacua, K.
A1 - Hodoroaba, Vasile-Dan
A1 - Sturm, Heinz
T1 - Carrier Fibers for the Safe Dosage of Nanoparticles in Nanocomposites: Nanomechanical and Thermomechanical Study on Polycarbonate/Boehmite Electrospun Fibers Embedded in Epoxy Resin
N2 - The reinforcing effect of boehmite nanoparticles (BNP) in epoxy resins for fiber composite lightweight construction is related to the formation of a soft but bound interphase between filler and polymer. The interphase is able to dissipate crack propagation energy and consequently increases the fracture toughness of the epoxy resin. Usually, the nanoparticles are dispersed in the resin and then mixed with the hardener to form an applicable mixture to impregnate the fibers. If one wishes to locally increase the fracture toughness at particularly stressed positions of the fiber-reinforced polymer composites (FRPC), this could be done by spraying nanoparticles from a suspension. However, this would entail high costs for removing the nanoparticles from the ambient air. We propose that a fiber fleece containing bound nanoparticles be inserted at exposed locations. For the present proof-of-concept study, an electrospun polycarbonate nonwoven and taurine modified BNP are proposed. After fabrication of suitable PC/EP/BNP composites, the thermomechanical properties were tested by dynamic mechanical analysis (DMA). Comparatively, the local nanomechanical properties such as stiffness and elastic modulus were determined by atomic force microscopy (AFM). An additional investigation of the distribution of the nanoparticles in the epoxy matrix, which is a prerequisite for an effective nanocomposite, is carried out by scanning electron microscopy in transmission mode (TSEM). From the results it can be concluded that the concept of carrier fibers for nanoparticles is viable.
KW - Advanced materials
KW - Electrospun nanocomposite fiber
KW - Nanomechanical charecteisation
KW - Nanosafety
KW - Epoxy nanocomposites
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-528265
DO - https://doi.org/10.3390/nano11061591
VL - 11
IS - 6
SP - 1591
PB - MDPI
CY - CH - 4020 Basel, Switzerland
AN - OPUS4-52826
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 - JOUR
A1 - Campbell, C. G.
A1 - Jordon Astorga, D.
A1 - Dümichen, Erik
A1 - Celina, M.
T1 - Thermoset materials characterization by thermal desorption or pyrolysis based gas chromatography-mass spectrometry methods
N2 - Thermoset materials characterization is often limited to solid state analytical techniques such as IR, NMR, DSC, TGA and mechanical testing. Alternatively, their off-gassing behavior can also be evaluated using GC based techniques such as TD-GC-MS, allowing this method to be applied to thermoset materials analyses such as identification, aging characterization, and formulation optimization. As an overview, common thermoset materials were evaluated by analyzing their gaseous degradation products via TGA-based pyrolysis and subsequent TD-GC-MS for the identification of representative volatile signatures. It is thereby possible to distinguish different classes of phenolic materials or cured epoxy resins, as well as their amine or anhydride curatives. Additionally, this method enabled quantification of a volatile fragment (bisphenol A, BPA) which is associated with oxidation of epoxy/amine thermoset materials. The amount of evolved BPA increased linearly with aging time and this trend exhibits linear Arrhenius behavior over the temperature range (80–125 °C) studied, in agreement with oxidation sensitivies based on oxygen consumption data. Further, TD-GC-MS was used to explore how off-gassing of residual anhydride curative from an epoxy/anhydride material depends on formulation stoichiometry. Even in formulations that theoretically contained enough epoxy to consume all anhydride (1:1 stoichiometry), an imperfect final cure state resulted in residual anhydride which could evolve from the material. For such materials, a slightly epoxy-rich formulation is required to ensure that the material contains no residual unreacted anhydride. Analysis of volatiles generated by thermal exposure is an attractive characterization approach enabling compositional analysis as well as complementary diagnostics for materials degradation.
KW - Polymer analysis/characterization
KW - Thermal desorption mass spectrometry
KW - Thermoset composition
KW - Volatiles from thermosets
KW - Degradation signatures
PY - 2020
DO - https://doi.org/10.1016/j.polymdegradstab.2019.109032
VL - 174
SP - 109032
PB - Elsevier Ltd.
AN - OPUS4-50435
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Cakir, Cafer Tufan
A1 - Piotrowiak, T.
A1 - Reinholz, Uwe
A1 - Ludwig, A.
A1 - Emmerling, Franziska
A1 - Streli, C.
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Radtke, Martin
T1 - Exploring the Depths of Corrosion: A Novel GE-XANES Technique for Investigating Compositionally Complex Alloys
N2 - In this study, we propose the use of nondestructive, depth-resolved, element-specific characterization using grazing exit X-ray absorption near-edge structure spectroscopy (GE-XANES) to investigate the corrosion process in compositionally complex alloys (CCAs). By combining grazing exit X-ray fluorescence spectroscopy (GE-XRF) geometry and a pnCCD detector, we provide a scanning-free, nondestructive, depth-resolved analysis in a sub-micrometer depth range, which is especially relevant for layered materials, such as corroded CCAs. Our setup allows for spatial and energy-resolved measurements and directly extracts the desired fluorescence line, free from scattering events and other overlapping lines. We demonstrate the potential of our approach on a compositionally complex CrCoNi alloy and a layered reference sample with known composition and specific layer thickness. Our findings indicate that this new GE-XANES approach has exciting opportunities for studying surface catalysis and corrosion processes in real-world materials.
KW - Degradation mechanisms
KW - Grazin exit XANES
KW - Depth resolved XANES
KW - Compositional complex alloys
KW - Corrosion
PY - 2023
DO - https://doi.org/10.1021/acs.analchem.3c00404
VL - 95
SP - 4810
EP - 4818
PB - ACS Publications
AN - OPUS4-57823
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 - Cakir, Cafer Tufan
A1 - Bogoclu, Can
A1 - Emmerling, Franziska
A1 - Streli, Christina
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Radtke, Martin
T1 - Machine learning for efficient grazing-exit x-ray absorption near edge structure spectroscopy analysis: Bayesian optimization approach
N2 - In materials science, traditional techniques for analyzing layered structures are essential for obtaining information about local structure, electronic properties and chemical states. While valuable, these methods often require high vacuum environments and have limited depth profiling capabilities. The grazing exit x-ray absorption near-edge structure (GE-XANES) technique addresses these limitations by providing depth-resolved insight at ambient conditions, facilitating in situ material analysis without special sample preparation. However, GE-XANES is limited by long data acquisition times, which hinders its practicality for various applications. To overcome this, we have incorporated Bayesian optimization (BO) into the GE-XANES data acquisition process. This innovative approach potentially reduces measurement time by a factor of 50. We have used a standard GE-XANES experiment, which serve as reference, to validate the effectiveness and accuracy of the BO-informed experimental setup. Our results show that this optimized approach maintains data quality while significantly improving efficiency, making GE-XANES more accessible to a wider range of materials science applications.
KW - Machine Learning
KW - GE-XANES
KW - Bayesian Optimization
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-603955
DO - https://doi.org/10.1088/2632-2153/ad4253
VL - 5
IS - 2
SP - 1
EP - 12
PB - IOP Publishing
AN - OPUS4-60395
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Cakir, Cafer Tufan
T1 - Unravelling the depths of complex alloys with grazing exit XANES
N2 - High entropy alloys (HEAs) are considered as a new class of alloys containing at least 5 elements with concentrations between 5 and 35 atomic percent. There has been a growing interest in HEAs in the material research field in recent years. Due to their adjustable composition, which enables the modifications of mechanical properties (such as hardness, strength and ductility etc) and their stability at high temperatures, HEAs have been the focus of various studies.
Especially the corrosion behavior of HEAs has been a wide research interest. Since the grazing exit X-ray fluorescence (GEXRF) offers a non-destructive way to collect notable information regarding the high temperature oxidation, we consider it as a useful method to investigate how HEAs behave in corrosive environments.
The main idea of grazing geometry is to enhance the fluorescence signal of the surface. This enables highly sensitive surface analyses of thin protective film on surface in sub-micrometer scale. Position-sensitive area detectors provide information regarding the signal emitted from the sample as a function of emission angle and thus allow depth-sensitive analysis. Furthermore, the data collected from samples of an incidence energy which lays within a specific energy range provides XANES data to determine oxidation states. Moreover, since GEXRF profiles can also be simulated through physical models (Urbach 1999), they enable us to determine the layer thickness of a given sample in a non-destructive way.
In this contribution, we present the preliminary results of a conceptual study regarding layer properties of CrCoNi medium entropy alloy. The successful implementation of such methodological concept will pave the way for the investigation of more complex alloys with multiple layers, which is planned for the later phases of the project.
T2 - Denver X-Ray Conference DXC 2021
CY - Online meeting
DA - 02.08.2021
KW - GEXRF
KW - High entropy alloys
KW - XANES
KW - Grazing exit
KW - XAS
PY - 2021
AN - OPUS4-54027
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Cakir, Cafer Tufan
T1 - Unrevealing the depths of compositionally complex alloys with grazing exit XANES
N2 - High entropy alloys (HEAs) are considered as a new class of alloys containing at least 5 elements with concentrations between 5 and 35 atomic percent. There has been a growing interest in HEAs in the material research field in recent years. Due to their adjustable composition, which enables the modifications of mechanical properties (such as hardness, strength and ductility etc) and their stability at high temperatures, HEAs have been the focus of various studies.
Especially the corrosion behavior of HEAs has been a wide research interest. Since the grazing exit X-ray fluorescence (GEXRF) offers a non-destructive way to collect notable information regarding the high temperature oxidation, we consider it as a useful method to investigate how HEAs behave in corrosive environments.
The main idea of grazing geometry is to enhance the fluorescence signal of the surface. This enables highly sensitive surface analyses of thin protective film on surface in sub-micrometer scale. Position-sensitive area detectors provide information regarding the signal emitted from the sample as a function of emission angle and thus allow depth-sensitive analysis. Furthermore, the data collected from samples of an incidence energy which lays within a specific energy range provides XANES data to determine oxidation states. Moreover, since GEXRF profiles can also be simulated through physical models (Urbach 1999), they enable us to determine the layer thickness of a given sample in a non-destructive way.
In this contribution, we present the preliminary results of a conceptual study regarding layer properties of CrCoNi medium entropy alloy. The successful implementation of such methodological concept will pave the way for the investigation of more complex alloys with multiple layers, which is planned for the later phases of the project.
T2 - XAFS 2021, The 18th International XAFS Conference
CY - Online meeting
DA - 02.08.2021
KW - GEXRF
KW - High entropy alloys
KW - XANES
KW - Grazing exit
KW - XAS
PY - 2021
AN - OPUS4-54028
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Cakir, Cafer Tufan
T1 - Enhancing the Efficiency and Accessibility of Grazing Exit X-ray Absorption Spectroscopy for Corrosion and Layered Materials Analysis
N2 - In the field of materials science, there is a critical need for efficient and effective characterization techniques, especially in the investigation of corrosion processes of compositionally complex alloys (CCAs) or the analysis of layered structures. This talk presents an advanced approach that combines grazing-exit X-ray absorption near-edge structure spectroscopy (GE-XANES) with Bayesian optimization (BO) to significantly improve the efficiency of data acquisition while retaining the depth-resolved, element-specific analysis capabilities that are critical for studying these materials under ambient conditions. Using a non-destructive, scan-free GE-XANES setup coupled with a pnCCD detector and grazing exit X-ray fluorescence spectroscopy (GE-XRF) geometry, our method enables precise analysis at sub-micrometer depths without the need for high vacuum environments or extensive sample preparation. The integration of BO reduces experimental time by a factor of 50, overcoming the practical limitations of conventional GE-XANES and increasing its applicability in the study of surface catalysis and corrosion processes. We validate this optimized approach through comparative studies on a CrCoNi alloy and a reference layered sample, demonstrating its potential to revolutionize materials analysis by increasing both efficiency and accessibility.
T2 - Gesellschaft Deutscher Chemiker (GDCh)
CY - Clausthal-Zellerfeld, Germany
DA - 20.06.2024
KW - GEXRF
KW - GEXANE
KW - ML
PY - 2024
AN - OPUS4-61788
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Cakir, Cafer Tufan
T1 - Bayesian optimization for depth resolved analysis of complex alloys with grazing exit XANES
N2 - Compositionally complex alloys (CCAs) are a new class of alloys containing at least 5 elements with concentrations between 5 and 35 atomic percent. Due to their adjustable composition, which enables modifications of mechanical properties (such as hardness, strength and ductility etc) and their stability at high temperatures, CCAs have been the focus of various studies [1,2]. Especially the corrosion behavior of CCAs has been a wide research interest.
However, there are only few studies that deals with the degradation process on such materials, which is highly relevant for the safety aspect for future component design. To thoroughly investigate the corrosion processes and to determine oxidation states of metal components within the reaction products, we need special analytical tools. Since the grazing exit X-ray fluorescence (GEXRF) offers a non-destructive way to collect notable information regarding the high temperature oxidation, we consider it as a useful method to investigate how CCAs behave in corrosive environments.
The main idea of grazing geometry is to enhance the fluorescence signal of the surface. This enables highly sensitive surface analyses of thin protective film on surface in sub-micrometer scale [3]. When compared to a conventional CCD-based camera, the advantage and most important feature of the detector system (Color X-Ray Camera (CXC)) is that each pixel is an energy sensitive detector. The position and area sensitive detector, with 264x264 pixel detector area, provides information regarding the signal emitted from the sample as a function of the emission angle and thus allows depth-sensitive analysis. Furthermore, the data collected from samples of an incidence energy which can be controlled with a resolution of 0.5 eV provides XANES data to determine oxidation states.
In this contribution, we address the feasibility of our setup and new optimization procedure (Bayesian Optimization and Gaussian Regression). The results of a conceptual study regarding layer properties of the reference sample (Cr-Oxide layer (300nm) on Cr layer (500nm) on Si wafer) and CrCoNi (Cr-Oxide (>1µm) layer on CrCoNi substrate) medium entropy alloy.
T2 - European Conference on X-ray Spectrometry. EXRS 2022
CY - Bruges, Belgium
DA - 26.06.2022
KW - GEXRF
KW - High entropy alloys
KW - XANES
KW - Grazing exit
KW - High entropy materials
KW - XAS
KW - Optimization
PY - 2022
AN - OPUS4-56272
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -