TY - INPR A1 - Morcillo, Dalia A1 - Oelze, Marcus A1 - Seena Prem, Pranav A1 - de Oliveira Guilherme Buzanich, Ana A1 - Emmerling, Franziska A1 - Recknagel, Sebastian A1 - Panne, Ulrich A1 - Abad Andrade, Carlos Enrique T1 - Lithium isotope fractionation as an early indicator of degradation mechanisms in lithium-ion batteries N2 - Aging in lithium-ion batteries (LIBs) degrades performance and hinders sustainability, demanding advanced diagnostics for early failure prediction. We investigate lithium isotope fractionation (LIF) as an innovative probe of degradation in lithium cobalt oxide (LCO) coin cells aged over 0−700 cycles. High-precision multi-collector inductively coupled plasma mass spectrometry (MC-ICP-MS) quantified δ7Li variations across cell stages: non-cycled (0 cycles), newly formed (5 cycles), semi-aged (250 cycles), and fully aged (700 cycles). During early cycling (≤ 45 cycles), chemical processes drive 7Li enrichment at the anode (δ7Li vs LSVEC = +12 ‰) through solid electrolyte interphase (SEI) formation, while the cathode depletes in 7Li (δ7Li vs LSVEC = −0.7 ‰). Beyond 45 cycles, electric field-induced migration predominates, promoting 6Li intercalation into the anode and increasing the δ7Li of the cathode by 8.1 ‰. Mass balance verifies isotope conservation, attributing shifts to redistribution and trapping. Complementary electrochemical impedance spectroscopy (EIS) and X-ray absorption spectroscopy and diffraction confirm SEI expansion, cobalt oxidation, lattice shrinkage, and changes in electrode structure, corroborating LIF trends. Notably, a δ7Li inflection at approximately 270 cycles anticipates end-of-life by 70 cycles, surpassing traditional methods in sensitivity. LIF emerges as a predictive indicator of aging mechanisms, informing optimized designs for durable LIBs. KW - Lithium isotope fractionation KW - Lithium-ion batteries KW - Degradation mechanisms KW - LiCoO2 cathodes KW - LCO KW - Isotopic tracing KW - Lithium isotopes PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-650945 DO - https://doi.org/10.26434/chemrxiv-2025-16lvq SP - 1 EP - 19 AN - OPUS4-65094 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 - Bhattacharya, Biswajit A1 - Akhmetova, Irina A1 - Rautenberg, Max A1 - Emmerling, Franziska T1 - Mechanochemical synthesis of phosphonate-based proton conducting metal organic frameworks and hydrogen-bonded metal phosphonates N2 - Proton exchange membrane fuel cells (PEMFCs) are one of the most promising alternative green energy technologies that deliver high energy density without CO2 emissions. The proton conductivity of proton exchange membranes (PEM) contributes to the overall efficiency of a PEMFC. Materials being used as PEMs must exhibit high proton conductivity at the working conditions of the targeted PEMFC. To date, Nafion and Nafion-like polymers with acidic functionality are widely used as membrane materials due to their high proton conductivity in the range of 10-1 to 10-2 Scm-1 at higher relative humidity. However, these materials suffer from high costs, hazardous production process, and poor performance at high temperatures, limiting their versatility. In this context, crystalline porous materials are recognized as promising proton conductors for the proton exchange membrane (PEM) in fuel cell technology, owing to their tunable framework structure. However, it is still challenging bulk synthesis for real-world applications of these materials. Herein, we present mechanochemical gram-scale synthesis of series of mixed ligand metal organic frameworks (MOFs) and metal hydrogen‐bonded organic frameworks (MHOFs) using phenylene diphosphonic acid and 1-hydroxyethylidene-1,1-diphosphonic acid with different bipyridyl type of ligands, respectively. In all cases, the existence of extensive hydrogen bonds with amphiprotic uncoordinated phosphonate hydroxyl and oxygen atoms, the frameworks exhibited high proton conductivity. The study demonstrates the potential of green mechanosynthesis for preparations of framework-based proton conducting materials in bulk scale for green energy generation. T2 - 4th International Conference on Phosphonate Chemistry, Science and Technology, ICOPHOS-4 CY - Crete, Greece DA - 02.10.2023 KW - Proton exchange membrane fuel cells KW - Metal organic frameworks KW - Proton conducting materials PY - 2023 AN - OPUS4-58837 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - de Oliveira Guilherme Buzanich, Ana A1 - Radtke, Martin A1 - Yusenko, Kirill A1 - Stawski, Tomasz A1 - Kulow, Anicó A1 - Cakir, Cafer Tufan A1 - Röder, Bettina A1 - Naese, Christoph A1 - Britzke, Ralf A1 - Sintschuk, Michael A1 - Emmerling, Franziska T1 - BAMline - A real-life sample materials research beamline 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. The BAMline, a real-life sample materials research beamline, provides unique insights into materials’ electronic and chemical structure at different time and length scales. The beamline specializes in x-ray absorption spectroscopy, x-ray fluorescence spectroscopy, and tomography experiments. This enables real-time optimization of material properties and performance for various applications, such as energy transfer, energy storage, catalysis, and corrosion resistance. This paper gives an overview of the analytical methods and sample environments of the BAMline, which cover non-destructive testing experiments in materials science, chemistry, biology, medicine, and cultural heritage. We also present our own synthesis methods, processes, and equipment developed specifically for the BAMline, and we give examples of synthesized materials and their potential applications. Finally, this article discusses the future perspectives of the BAMline and its potential for further advances in sustainable materials research. KW - Extended X-ray absorption fine structure KW - Energy storage KW - Environmental impacts KW - Nondestructive testing techniques KW - X-ray fluorescence spectroscopy KW - Corrosion KW - Near edge X-ray absorption fine structure spectroscopy KW - X-ray absorption spectroscopy PY - 2023 DO - https://doi.org/10.1063/5.0157194 VL - 158 IS - 24 SP - 1 EP - 22 PB - AIP Publishing AN - OPUS4-57824 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Dietzmann, Simon T1 - Between Homogenous and Heterogenous Catalysis: Single-Atom-Catalysts N2 - Catalysis is a very important process in chemistry as it lowers the energy barrier for chemical reactions. This saves energy and/or some reactions are only possible with a catalyst under the desired conditions (temperature and pressure). Catalysts can be roughly categorized depending on the phase they interact with the substrates in homogenous and heterogenous catalysis. T2 - 5. Deutsche Tagung für Forschung mit Synchrotronstrahlung, Neutronen und Ionenstrahlen an Großgeräten (SNI2022) CY - Berlin, Germany DA - 05.09.2022 KW - Single-atom-catalyst KW - Electrochemistry KW - Porous carbons PY - 2022 AN - OPUS4-61989 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Sauer, Hannah A1 - Okpeke, Bright E. A1 - Dzielendziak, Agnieszka S. A1 - Eberwein, Robert A1 - Baetcke, Lars A1 - Ehlers, Sören T1 - Comparative life cycle assessment of vacuum insulation panel core materials for liquid hydrogen storage tanks – glass bubbles compared to conventional core materials N2 - The environmental performance of insulation materials for liquid hydrogen storage tank application is important to the development of sustainable supply chains. As new materials keep evolving, there is a need to assess their environmental impact. Therefore, this study investigates the environmental sustainability and circularity of cryogenic insulation concepts, namely vacuum insulation panels (VIPs), exclusively focussing on their core materials. Employing a cradle-to-grave life cycle assessment model, the VIP core materials are investigated with a special focus on glass bubbles. Based on the results, the global warming potential of the considered core materials, namely, glass bubbles, silica aerogel, fumed silica, expanded perlite, glass fibre, and polyurethane foam is 9.21∗10^−2, 7.00, 2.50∗10^−1, 3.63∗10^−2, 6.68∗10^−2, and 1.88 kg CO2 eq. per functional unit, respectively. In general, silica aerogel and polyurethane foam are the least environmentally friendly materials, while the most sustainable is expanded perlite, followed by glass fibre, glass bubbles, and fumed silica. KW - LH2 KW - Insulation KW - Cryogenic storage tank KW - Life Cycle Assessment PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-655445 DO - https://doi.org/10.1016/j.ijhydene.2026.153937 SN - 0360-3199 VL - 219 SP - 1 EP - 11 PB - Elsevier Ltd. AN - OPUS4-65544 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Roy, Arkendu A1 - Kumar, Sourabh A1 - de Oliveira Guilherme Buzanich, Ana A1 - Prinz, Carsten A1 - Götz, Emilia A1 - Retzmann, Anika A1 - Hickel, Tilmann A1 - Bhattacharya, Biswajit A1 - Emmerling, Franziska T1 - Synergistic Catalytic Sites in High‐Entropy Metal Hydroxide Organic Framework for Oxygen Evolution Reaction N2 - AbstractThe integration of multiple elements in a high‐entropy state is crucial in the design of high‐performance, durable electrocatalysts. High‐entropy metal hydroxide organic frameworks (HE‐MHOFs) are synthesized under mild solvothermal conditions. This novel crystalline metal–organic framework (MOF) features a random, homogeneous distribution of cations within high‐entropy hydroxide layers. HE‐MHOF exhibits excellent electrocatalytic performance for the oxygen evolution reaction (OER), reaching a current density of 100 mA cm−2 at ≈1.64 VRHE, and demonstrates remarkable durability, maintaining a current density of 10 mA cm−2 for over 100 h. Notably, HE‐MHOF outperforms precious metal‐based electrocatalysts despite containing only ≈60% OER active metals. Ab initio calculations and operando X‐ray absorption spectroscopy (XAS) demonstrate that the high‐entropy catalyst contains active sites that facilitate a multifaceted OER mechanism. This study highlights the benefits of high‐entropy MOFs in developing noble metal‐free electrocatalysts, reducing reliance on precious metals, lowering metal loading (especially for Ni, Co, and Mn), and ultimately reducing costs for sustainable water electrolysis technologies. KW - Electrocatalysis KW - Green Hydrogen PY - 2024 DO - https://doi.org/10.1002/adma.202408114 SP - 1 EP - 14 PB - Wiley AN - OPUS4-61739 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Dietzmann, Simon T1 - Between Homogenous and Heterogenous Catalysis: Single-Atom-Catalysts N2 - Catalysis is a very important process in chemistry as it lowers the energy barrier for chemical reactions. This saves energy and/or some reactions are only possible with a catalyst under the desired conditions (temperature and pressure). Catalysts can be roughly categorized depending on the phase they interact with the substrates in heterougenous and heterogenous catalyst T2 - RÅC international summer school CY - Varberg, Sweden DA - 14.08.2022 KW - Single-atom-catalyst KW - Electrochemistry KW - Porous carbons PY - 2022 AN - OPUS4-61983 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Dietzmann, Simon T1 - XAS for structural characterization of atomically dispersed materials N2 - metal and nitrogen enriched carbons (M-N-C) are promising electrocatalysts for small molecule activation. It is proposed that the nitrogen is forming a stabilizing N4-site for the catalytically active metal. This can be proven by XAS measurements to confirm the coordination sphere around the metal. T2 - Bessy User Meeting CY - Online meeting DA - 08.12.2024 KW - Single-atom-catalyst KW - Structural characterization KW - Porous carbons PY - 2022 AN - OPUS4-61994 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Trappe, Volker T1 - Roving-Alterung und mechanische Eigenschaften N2 - Im statistischen Mittel steht eine Windkraftanlage (WKA) in Deutschland alle 6 Jahre wegen eines Schadens an den Rotorblättern und verursacht Kosten von 20k€-40k€ infolge Ertragsausfall und Reparaturkosten. Bei über 30.000 WKA in Deutschland verursacht dies jährlichen Kosten von 100-200 Mio. €. Zu 70% sind die Ursachen Fertigungsfehler. Diesem Themenkomplex widmet sich FB-5.3 in Kooperation mit FBs der Zerstörungsfreien Prüfung (Abt. 8) schon seit Jahren. Im aktuellen Projekt geht es um einen vorzeitigen Verschleiß der Rotorblätter infolge der Verwendung gealterter Glasfaser-Rovings. (GF). Die Entwicklung moderner Windkraftanlagen hatte in Europa seinen Ursprung in den 90er Jahren. OEMs und GF-Hersteller waren dicht beisammen. Die Globalisierung des Marktes führt heute zu einer weltweiten Verschiffung der GF in feucht-warmen Containern. Je nach Beschaffenheit (Chemie) der Schlichten (Oberflächenbehandlung) von GF können diese stark altern (Hydrolyse-Effekte) und die Festigkeit kann im Bauteil um bis zu 50% abgemindert sein. In einer Kooperation mit der Rotorblattallianz, einem Zusammenschluss der OEMs, Halbzeugherstellern und Forschungsinstituten, wurden schon vor 5 Jahren in einem Forschungsprojekt (FB-5.3; VH 5538) die chemischen Mechanismen der Alterung exemplarisch für eine Glasfaser-Roving-Type aufgeklärt. Im aktuellen Projekt (FB-5.3; VH 5304) wird ein beschleunigtes Alterungsverfahren (erhöhte Temperatur und Feuchte) am Roving im un-impregnierten Zustand entwickelt und die Festigkeit nachfolgend nach Einbettung in eine Epoxid-Harz-Matrix bestimmt. Je nach Alterungszustand zeigt sich eine Abnahme der Zwischenfaserbruchfestigkeit von bis zu 50%. Nicht alle Glasfaser-Roving-Typen zeigen diesen Effekt. Es ist gelungen für OEMs und Halbzeughersteller ein handhabbares Verfahren zur innerbetrieblichen Qualitätssicherung zu entwickeln, da die wenigsten Firmen über komplexe Analyseverfahren, wie an der BAM, verfügen. T2 - Composite United - AG Faserverbund in der Windenergie CY - Braunschweig, Germany DA - 09.05.2023 KW - Faserkunststoffverbunde KW - Windenergie KW - Alterung PY - 2023 AN - OPUS4-58409 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pauw, Brian Richard T1 - Holistic Experimentation in the HExX-Lab N2 - Through bottom-up, comprehensive digitalisation of all aspects of an experiment, the HEX-lab improves the trustworthiness (traceability, reproducibility, quality) of scientific findings. The five main parts that make up a materials science experiment, i.e. Sample preparation, Measurements, Processing, Analysis, and Interpretation, each have been addressed in thorough and unique ways in this lab, building up a foundation for a wide range of materials science collaborations. Improvements span the spectrum. Hardware developments include new sample environments and stages, such as grazing incidence motion towers, electrochemistry cells and flow-through holders, electronic components such as safety interlocks and multipurpose I/O controllers, and liquid handling systems such as coolant flow cross-over systems. Software developments include: 1) a new comprehensive control system operating on both the RoWaN as well as the MOUSE allowing for full Python control and sequencing of all experimentation, 2) Automated scripts for instrument optimization, sample alignments and measurements, 3) revamped data pipelines and analysis software, standalone or launched as part of operations sequencing dashboards on servers, and 4) meticulously structured archival datafiles, fully documenting sample preparation, measurements, processing and analyses. These allow for holistic databases and dashboards to be constructed to investigate the links between synthesis parameters and resulting morphology. This poster will highlight some of the tools and techniques developed and available in the HEX-lab over the years, from sample environments to overarching experiment and data organisation structures. T2 - Materials Science Core Facility Synergy Forum 2025 CY - Bremen, Germany DA - 26.02.2025 KW - Digitalization KW - Holistic experiments KW - Traceability KW - Data provenance PY - 2025 AN - OPUS4-62675 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Chaudhuri, Somsubhro A1 - Krankenhagen, Rainer A1 - Lapšanská, Ivana A1 - Stamm, Michael T1 - Modeling Temperature Responses of a Wind Turbine Blade Section Under Climate Chamber Conditions – Part 1: Challenges for FEM Simulations N2 - The rapid expansion of wind energy infrastructure over the past 20–30 years has led up to a situation where advanced non‐destructive testing (NDT) technologies are the need‐of‐the‐hour, not only for new wind turbine blades (WTBs) that are being installed, but also for older infrastructure which is reaching their designed lifetime. NDT technologies that improve both the quality as well as reduce the time required for the inspection are sought after, and one such example is passive infrared thermography (IRT). For passive IRT to provide significant information/insight into the integrity of the WTB, there needs to exist certain thermal contrast to both visualize and distinguish between features in WTB. These features could be surface features, subsurface structure or defects. The temperature variations due to air temperature fluctuations and the sun assist (passively) to obtain the necessary thermal contrast. To better understand the thermal response of composite structures such as WTBs, a validation study was conducted using a WTB section subjected to controlled temperature transients within a climate chamber, without external irradiation. Infrared measurements were recorded using a thermographic camera, and the same specimen was modeled using finite element methods (FEM) in COMSOL Multiphysics. While a direct validation of the simulation is limited due to transient and unmeasured variables in the experimental data, qualitative comparison provides valuable insight into the applicability of FEM for predicting thermal behavior in passive IRT scenarios. This article represents the first part of a two‐part study, focusing on the FEM modeling approach and associated challenges. The second part will address the experimental investigation in more detail, with an emphasis on thermal contrast behavior under varied transient conditions. KW - Finite element modeling KW - Non- destructive testing KW - Passive infrared thermography KW - Thermal contrast KW - Wind turbine blades PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-655330 DO - https://doi.org/10.1002/we.70102 SN - 1095-4244 VL - 29 IS - 3 SP - 1 EP - 14 PB - Wiley AN - OPUS4-65533 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Czeskleba, Denis A1 - Rhode, Michael A1 - Wandtke, Karsten A1 - Irfan, Muhammad Dary A1 - Kannengiesser, Thomas T1 - Hydrogen diffusion in thick-walled S690 saw joints: part 1—experimental determination of microstructure-dependent diffusion coefficients N2 - High-strength low-alloyed steel S690 is widely used in heavy-duty applications, such as structural components, mobile cranes, and industrial plant construction, owing to their high strength and weldability. However, thick-plate submerged arc welding (SAW) can introduce elevated hydrogen levels and residual stresses that promote time-delayed hydrogen-assisted cold cracking (HACC). Accurate, microstructure-specific diffusion data are scarce, limiting predictive HACC assessments. This study presents an experimental determination of hydrogen diffusion coefficients (DH) in two S690 variants: thermomechanically rolled (S690MC) and quenched and tempered (S690Q). Multi-layer SAW welds were produced from 30 mm thick plate material at three heat input levels, and diffusion membranes were extracted from weld metal (WM), heat-affected zone (HAZ), and base material (BM). Hydrogen permeation tests, conducted in accordance with DIN En ISO 17081, yielded flux curves normalized in time from which DH was derived using the inflection-point method. At room temperature, DH values ranged from 6 × 10−5 mm2/s to 9 × 10−5 mm2/s across all regions and heat inputs, with no significant difference between S690MC and S690Q. Weld metal exhibited marginally lower DH, attributed to enhanced hydrogen trapping, while base material measurements showed greater variability. These microstructure-resolved diffusion coefficients add quantitative data for modern S690 SAW welds and provide internally consistent input parameters for the numerical simulations presented in part 2. The results support improved parameterization for subsequent assessments of HACC risk through the optimization of welding parameters. KW - Hydrogen assisted cracking KW - Submerged arc welding KW - Diffusion KW - Electrochemical permeation KW - Microstructure PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-655711 DO - https://doi.org/10.1007/s40194-026-02400-7 SN - 0043-2288 SP - 1 EP - 15 PB - Springer Science and Business Media LLC AN - OPUS4-65571 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Czeskleba, Denis A1 - Rhode, Michael A1 - Wandtke, Karsten A1 - Irfan, Muhammad Dary A1 - Kannengiesser, Thomas T1 - Hydrogen diffusion in thick-walled S690 SAW joints: part 2 – predictive modeling of heat input and microstructure influence N2 - High-strength low-alloy (HSLA) steels such as S690 are widely employed in thick-walled welded structures, where hydrogen-assisted cold cracking (HACC) remains a persistent concern. While microstructure-specific hydrogen diffusion coefficients (DH) for weld metal (WM), heat-affected zone (HAZ), and base material (BM) were experimentally established in Part 1 of this study, their quantitative influence on hydrogen accumulation and effusion has not yet been fully clarified. This work presents a transient, spatially resolved numerical model for simulating hydrogen transport in multi-pass submerged arc welds. The model integrates experimentally determined DH values with realistic thermal cycles and temperature-dependent boundary conditions. Developed in Python, the simulation tool is purpose-built for hydrogen diffusion in welded joints. It offers a focused, transparent alternative. It offers a focused, transparent alternative to general-purpose finite element platforms. Parametric analyses demonstrate that, although the diffusion coefficients vary by up to 50%, their impact on overall hydrogen retention is minor. In contrast, plate thickness, bead geometry, cooling time (t₈/₅), and interpass temperature exert a dominant influence on hydrogen distribution. Despite clear microstructural differences between the thermomechanically rolled (S690MC) and quenched and tempered (S690Q) variants, including opposite HAZ hardness responses (softening in S690MC, hardening in S690Q) in the (pen)ultimate weld bead, the simulations confirm that their diffusion behavior and hydrogen solubility are closely aligned. Consequently, differences in DH and solubility exert only a minor influence on hydrogen retention compared to thermal exposure and joint geometry. These findings support the interchangeable use of both steel grades in terms of HACC risk due to hydrogen diffusion kinetics under comparable welding conditions. KW - Hydrogen assisted cracking KW - Numerical simulation KW - Diffusion KW - Submerged arc welding PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-655721 DO - https://doi.org/10.1007/s40194-026-02395-1 SN - 0043-2288 SP - 1 EP - 16 PB - Springer Science and Business Media LLC AN - OPUS4-65572 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Sarah-K. T1 - Second Life Batterien - Alterungsverhalten und Brandversuche N2 - Der Vortrag gibt zunächst einen Themeneinstieg in den Bereich der Second-Life-Batterien sowie rechtliche und technische Grundlagen zu Lebenszyklus und Alterung. Im Weiteren werden experimentelle Ergebnisse aus Versuchen zum thermischen Durchgehen mit Batteriemodulen aus dem BMBF-Vorhaben SEE-2L vorgestellt. Darüber hinaus wird ein eigens entwickelter Ausbildungsdemonstrators vorgestellt, welcher einen wesentlichen Baustein des Ergebnistransfers aus dem Vorhaben darstellt. T2 - 19. Fachkonferenz Lithiumbatterien CY - Göttingen, Germany DA - 26.01.2026 KW - Auswirkungsbetrachtungen KW - Elektrische Energiespeicher KW - Lithium-Ionen-Batterie KW - Second Life KW - Thermisches Durchgehen PY - 2026 AN - OPUS4-65621 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bayat, Mehmet Emin T1 - Traceable dynamic and gravimetric preparation of trace ammonia in hydrogen gas standards for ISO 14687 N2 - Trace ammonia impurities in hydrogen fuel poison proton-exchange-membrane fuel cells (PEMFC), causing irreversible performance degradation. Accurate quantification of ammonia in so-called Grade D hydrogen fuel is crucial for ensuring PEMFCs long-term operational stability and performance. According to ISO 14687 grade D hydrogen fuel sets a stringent threshold value of just 100 nmol/mol for ammonia impurities. Given the potential of an ammonia-based hydrogen supply chain, reliable quantification of ammonia contamination appears even more relevant. Hydrogen quality assessments for ammonia impurities typically employ techniques such as gas chromatography, cavity-enhanced absorption spectroscopy, or mass spectrometry. These techniques, however, require stable reference gases for calibration and long-term method validation. Typically, gravimetrically produced reference gases are used. However, ammonia poses unique challenges due to its chemical reactivity and stickiness. By applying (ultra )long-path Optical Feedback Cavity Enhanced Absorption Spectroscopy we observed that above a certain amount of ammonia, the gravimetric amount deviates from the analytically determined amount. This discrepancy most likely arises due to strong adsorption of ammonia onto the inner surface of the gas cylinder. Therefore, we investigated the lowest gravimetrically preparable amount of ammonia in hydrogen for which the analytically measured amount of the cylinder remains congruent with the gravimetric amount of substance. We further investigated the applicability of passivated cylinders for trace ammonia gas standards and compared their performance to aluminum alloy cylinders. To confirm reproducibility of our results, we conducted three independent gravimetric preparation campaigns, each employing optimizations, or changes in methodology, at different times. Finally, we investigated whether those gravimetrically prepared trace amounts of ammonia in hydrogen gas standards were long-term-stable. Beyond gravimetrically prepared gas standards, we evaluated how a cutting-edge dynamic dilution system could reliably extend trace-ammonia calibration down to the ISO limit of 100 nmol/mol. For this purpose, we developed an advanced dynamic dilution system capable of a one-in-a-billion dilution ratio, validated for its SI traceability, reproducibility, and operational limits by applying an internal standard. In summary, our results demonstrate that precise dynamic dilution, coupled with concentrated gravimetrically prepared ammonia gas mixture, provides a route to full SI-traceable trace-ammonia reference sample gases. T2 - Gas Analysis Symposium 2026 CY - Paris, France DA - 27.01.2026 KW - Ammonia KW - Hydrogen KW - Gravimetric preparation KW - OF-CEAS KW - ISO 14687 PY - 2026 AN - OPUS4-65620 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gleim, Tobias T1 - Großbrandversuche von Elektrofahrzeugen zum Transport Gefährlicher Güter N2 - Der zunehmende Einsatz von batterieelektrischen Transportfahrzeugen (Battery Electric Transport Vehicles – BETVs) im Verkehrswesen wirft Sicherheitsfragen beim Transport gefährlicher Güter auf. Obwohl Batteriebrände auf Zell-, Modul- und Fahrzeugebene umfassend untersucht wurden, fehlen systematische Daten zu deren thermischen Auswirkungen auf Gefahrgutverpackungen. Um diese Lücke zu schließen, führt die Bundesanstalt für Materialforschung und -prüfung (BAM) auf ihrem Testgelände Technische Sicherheit (BAM-TTS) groß angelegte Brandtests durch, in denen konservative Unfallszenarien mit unterschiedlichen Zellchemien und -kapazitäten nachgestellt werden. Die Tests kombinieren fahrzeugbedingte Brandlasten mit standardisierten Propan-Referenzbränden und erfassen mittels hochauflösender Instrumente zentrale Messgrößen wie Wärmefluss, Temperatur und Strahlung. Der daraus entstehende Datensatz liefert erstmals eine direkte Quantifizierung der thermischen Auswirkungen von BETV-Bränden auf Verpackungen und unterstützt Expertengremien bei der Bewertung, ob bestehende regulatorische Anforderungen für alternative Antriebssysteme weiterhin angemessen sind. T2 - Informationsaustausch zur verkehrsrechtlichen Aufsicht bei der Beförderung radioaktiver Stoffe CY - Salzgitter, Germany DA - 03.02.2026 KW - Batteriebrand KW - IAEA KW - Gefahrgut KW - Transport PY - 2026 AN - OPUS4-65626 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Rautenberg, Max A1 - Bhattacharya, Biswajit A1 - Das, Chayanika A1 - Emmerling, Franziska T1 - Mechanochemical Synthesis of Phosphonate-Based Proton Conducting Metal-Organic Frameworks N2 - Water-stable metal−organic frameworks (MOFs) with proton-conducting behavior have attracted great attention as promising materials for proton-exchange membrane fuel cells. Herein, we report the mechanochemical gram-scale synthesis of three new mixed-ligand phosphonate-based MOFs, {Co(H2PhDPA)(4,4′-bipy)H2O)·2H2O}n (BAM-1), {Fe(H2PhDPA)(4,4′-bipy) (H2O)·2H2O}n (BAM-2), and {Cu(H2PhDPA)(dpe)2(H2O)2·2H2O}n (BAM-3) [where H2PhDPA = phenylene diphosphonate, 4,4′-bipy = 4,4′-bipyridine, and dpe = 1,2-di(4-pyridyl)ethylene]. Single-crystal X-ray diffraction measurements revealed that BAM-1 and BAM-2 are isostructural and possess a three-dimensional (3D) network structure comprising one-dimensional (1D) channels filled with guest water molecules. Instead, BAM-3 displays a 1D network structure extended into a 3D supramolecular structure through hydrogenbonding and π−π interactions. In all three structures, guest water molecules are interconnected with the uncoordinated acidic hydroxyl groups of the phosphonate moieties and coordinated water molecules by means of extended hydrogen-bonding interactions. BAM-1 and BAM-2 showed a gradual increase in proton conductivity with increasing temperature and reached 4.9 × 10−5 and 4.4 × 10−5 S cm−1 at 90 °C and 98% relative humidity (RH). The highest proton conductivity recorded for BAM-3 was 1.4 × 10−5 S cm−1 at 50 °C and 98% RH. Upon further heating, BAM-3 undergoes dehydration followed by a phase transition to another crystalline form which largely affects its performance. All compounds exhibited a proton hopping (Grotthuss model) mechanism, as suggested by their low activation energy. KW - Mechanochemistry KW - Metal-organic-frameworks KW - Proton conductivity PY - 2022 DO - https://doi.org/10.1021/acs.inorgchem.2c01023 VL - 61 SP - 10801 EP - 10809 PB - ACS Publications AN - OPUS4-55448 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ghazanfari, M. R. A1 - Vittadello, L. A1 - Al-Sabbagh, Dominik A1 - Santhosh, A. A1 - Frankcom, C. A1 - Fuß, F. A1 - von Randow, C. A. A1 - Siemensmeyer, K. A1 - Vrijmoed, J. C. A1 - Emmerling, Franziska A1 - Jerabek, P. A1 - Irmlau, M. A1 - Thiele, G. T1 - Remarkable Infrared Nonlinear Optical, Dielectric, and Strong Diamagnetic Characteristics of Semiconducting K3[BiS3] N2 - The ternary sulfido bismuthate K3[BiS3] is synthesized in quantitative yields. The material exhibits nonlinear optical properties with strong second harmonic generation properties at arbitrary wavelengths in the infrared spectral range and a notable laser-induced damage threshold of 5.22 GW cm−2 for pulsed laser radiation at a wavelength of 1040 nm, a pulse duration of 180 fs, and a repetition rate of 12.5 kHz. K3[BiS3] indicates semiconductivity with a direct optical band gap of 2.51 eV. Dielectric and impedance characterizations demonstrate κ values in the range of 6−13 at 1 kHz and a high electrical resistivity. A strong diamagnetic behavior with a susceptibility of −2.73 × 10−4 m3 kg−1 at room temperature is observed. These results suggest it is a promising nonlinear optical candidate for the infrared region. The synergic physical characteristics of K3[BiS3] provide insight into the correlation of optical, electrical, and magnetic properties. KW - Electrical properties KW - Insulators KW - Materials KW - Nonlinear optics KW - Quantum mechanics PY - 2022 DO - https://doi.org/10.1021/acs.jpclett.2c01689 VL - 13 IS - 30 SP - 6987 EP - 6993 PB - ACS Publications AN - OPUS4-55456 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Wu, Shu-Han T1 - MOF-derived Synthetic Carbon Anode Materials for Sodium-Ion Batteries N2 - Metal-organic frameworks (MOFs), particularly the zeolitic imidazolate framework (ZIF) family, are attractive precursors for advanced energy-storage materials. Upon pyrolysis, ZIFs can be transformed into electrically conductive carbon materials while preserving their original particle morphology, which is crucial for achieving high-performance sodium-ion battery anodes. Despite these advantages, large-scale implementation remains challenging due to the need for synthesis routes that balance performance, cost, and sustainability. The present study addresses these challenges by developing environmentally benign and economically feasible strategies for the scalable production of ZIF-8-derived carbon anodes suitable for industrial applications. T2 - Batterieforum Deutschland 2026 CY - Berlin, Germany DA - 20.01.2026 KW - Sodium-ion battery KW - Negative electrode KW - Metalorganic frameworks PY - 2026 AN - OPUS4-65644 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Aliyah, K. A1 - Berger, A. A1 - Lazaridis, T. A1 - Appel, C. A1 - Prehal, C. A1 - Menzel, A. A1 - Guizar-Sicairos, M. A1 - Smales, Glen J. A1 - Pauw, Brian Richard A1 - Gasteiger, H. A. A1 - Gubler, L. A1 - Büchi, F. N. A1 - Eller, J. T1 - Impact of Microporous Layer Composition on the Water Content in the Membrane Electrode Assembly of Polymer Electrolyte Fuel Cells N2 - Polymer electrolyte fuel cells are paramount for future emission-free mobility. One of the vital challenges for prospering commercialization of PEFCs is water management in the cells. A microporous layer (MPL) is typically positioned between the gas Diffusion layer (GDL) and the catalyst layer (CL) to boost the cell performance and facilitate water management. In this study, three different MPLs were investigated, namely, carbon black-based MPLs with different PTFE binder contents (20 wt % PTFE as a base case and 40 wt % PTFE), as well as perforated MPLs with micron-sized pores coated on the same GDL- Substrate (Freudenberg H14). The water content in the membrane, catalyst layers (CL), and MPLs was explored using operando scanning small- and wide-angle X-ray scattering (S/WAXS). At Tcell = 80 °C, relative humidity = 100%, pabs = 3 bar, the MPL with larger pores exhibits slightly higher performance than the base case, while a considerably lower cathode CL and MPL saturation levels were observed for the MPL. In contrast, the MPL with higher amounts of PTFE binder shows lower performance than the base case, with considerably higher cathode CL and MPL saturation levels. 3D representations of how the pores could be filled in the cathode CLs were obtained from operando SAXS profiles using representative structure modeling for the different materials and operating conditions. KW - Polymer electrolyte fuel cell KW - Catalyst layer saturation KW - Microporous layer saturation KW - Membrane hydration KW - Small and wide-angle scattering KW - MOUSE KW - SAXS KW - X-ray scattering KW - Energy storage materials PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-656691 DO - https://doi.org/10.1021/acsami.5c22540 SN - 1944-8244 SP - 1 EP - 17 PB - American Chemical Society (ACS) AN - OPUS4-65669 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -