TY - JOUR A1 - Nicolai, Marcel A1 - Bulling, Jannis A1 - Narayanan, M.M. A1 - Zeipert, Henning A1 - Prager, Jens A1 - Henning, Bernd T1 - Dynamic interface behavior in coupled plates: Investigating Lamb wave mode repulsion with a spring-based model N2 - This study investigates the phenomenon of mode repulsion in Lamb waves propagating through two coupled plates with an elastic interface. Using a spring-based coupling model and the Scaled Boundary Finite Element Method, the dispersion curves of the coupled system are analyzed under various interface conditions—weak coupling, sliding boundary, and perfect coupling. This research highlights how the mechanical stiffness of the interface influences the separation of modes and the emergence of repulsion regions. A novel focus on interface displacements reveals a unique dynamic behavior within the repulsion regions, driven by in-phase and out-of-phase oscillations of the coupled plates. The findings provide a physically grounded explanation of mode repulsion, linking it to the strain patterns in the interface. This insight lays the theoretical groundwork for future applications in material characterization and non-destructive evaluation, enabling more precise selection of Lamb wave modes for scientific and industrial purposes. KW - Lamb waves KW - Mode repulsion KW - Coupled plates KW - Elastic interface KW - Dispersion curves PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-642245 DO - https://doi.org/10.1016/j.ultras.2025.107799 SN - 0041-624X VL - 158 SP - 1 EP - 9 PB - Elsevier BV AN - OPUS4-64224 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Fischer, Tim A1 - Huber, Norbert T1 - Microstructure and orientation effects on microcompression-induced plasticity in nanoporous gold N2 - Understanding the plastic deformation of nanoporous metals requires a detailed examination of their small-scale microstructural features. In this work, we present a computational study of micropillar compression in single crystal nanoporous gold (NPG) using crystal plasticity. This approach enables a systematic investigation of three key microstructural effects, including ligament size (50 ≤ 𝑙 ≤ 400 nm), solid fraction (0.2 ≤ 𝜑 ≤ 0.3), and initial crystal orientation ([001] and [111] ̄ ), on the plastic response far beyond yielding. After validation against experimental data, the study reveals that, in line with the ’smaller is stronger’ trend, besides the yield strength, the strain hardening rate also increases as ligament size decreases. Moreover, the strain hardening rate follows a power-law scaling with solid fraction, similar to the yield strength. The analysis of two distinct crystal orientations presents findings contrasting with previous assumptions. While the yielding onset remains orientation-independent, as expected, an increase in the strain hardening rate emerges for the harder [11-1] orientation with continued compression. An effect that becomes more pronounced with increasing solid fraction and decreasing ligament size. Under these conditions, harder orientations also amplify local stress heterogeneity. Notably, the stress distribution in NPG is nearly twice as wide as that observed in the single crystal bulk material (𝜑 = 1.0). Compared to the crystal plasticity approach, traditional isotropic plasticity predicts more uniform local stress fields. KW - Nanoporous gold KW - Microcompression KW - Plasticity KW - Size effect KW - Micromechanics PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-650137 DO - https://doi.org/10.1016/j.actamat.2025.121798 SN - 1359-6454 VL - 304 SP - 1 EP - 13 PB - Elsevier Inc. AN - OPUS4-65013 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Risse, Kerstin A1 - Nikiforidis, Constantinos V. A1 - Morris, Imogen A1 - Thünemann, Andreas A1 - Drusch, Stephan T1 - Regulating the heat stability of protein-phospholipid stabilised oil-water emulsions by changing the phospholipid headgroup or fatty acyl chain N2 - Stabilising oil–water emulsions remains a central challenge across food, pharmaceutical and cosmetic applications. β-lactoglobulin (β-LG) and phospholipids (PLs) can act synergistically at oil-water interfaces: PLs adsorb rapidly, while β-LG forms a viscoelastic protein network that enhances long-term stability. However, competitive adsorption between proteins and PLs can disrupt interfacial structure. In addition, for commercial production, emulsions are often exposed to heat treatment during or after manufacture, for instance due to food safety requirements. Yet, the combined effects of PL structure and heat treatment on interfacial organisation and emulsion stability remain poorly understood. Here we show that PL saturation and processing temperature jointly determine interfacial organisation, protein-PL interactions and emulsion stability. Using β-LG-PL emulsions, we combined ζ-potential measurements, small-angle X-ray scattering (SAXS), micro-differential scanning calorimetry (μDSC), X-ray diffraction and confocal laser scanning microscopy (CLSM) to link interfacial composition with functional stability. Below the β-LG denaturation temperature (≤75 °C), saturated PLs promoted partial unfolding of β-LG at the interface without displacement, producing mixed protein-PL networks with enhanced viscoelasticity and stability. Unsaturated PLs displaced β-LG, yielding less elastic interfaces and promoting protein aggregation in the bulk. At ≥75 °C, increased hydrophobicity intensified protein-protein interactions irrespective of PL type. Our findings reveal that saturated PLs shift the β-LG denaturation temperature upward by restricting molecular mobility, without preventing quaternary-level protein-protein interactions. Thermal denaturation, regardless of PL type, promoted interfacial multilayer formation at 90 °C. These results provide a mechanistic framework for tailoring emulsion stability via lipid saturation and processing temperature. KW - Small-angle X-ray scattering KW - SAXS KW - Nanostructure KW - Reference Method KW - Colloid KW - Nanoparticle PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-648956 DO - https://doi.org/10.1016/j.jcis.2025.139530 SN - 0021-9797 VL - 705 SP - 1 EP - 25 PB - Elsevier Inc. AN - OPUS4-64895 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mikhlin, Yuri A1 - Muzikansky, Anya A1 - Zysler, Melina A1 - Thünemann, Andreas A1 - Zitoun, David T1 - Emerging electrochemistry of high-concentration colloids: Redox-activity, wide potential window and electrophoretic transport of iron oxide nanoparticles N2 - High-concentration, steric stabilizer free colloids and particularly their electrochemical behavior remains almost unexplored. Herein, we report on the electrochemistry (cyclic voltammetry, impedance spectroscopy, etc.) of highly concentrated aqueous colloidal dispersion up to 800 g/L of citrate-capped ∼11 nm Fe3-xO4 nanoparticles (NPs) without background electrolyte on glassy carbon electrodes. X-ray photoelectron spectroscopy was applied to analyze the reaction products. Solid-state Fe(II)/Fe(III) conversion was concluded to determine the cathodic and anodic faradaic reactions of the particles, with the currents depending on approximately square root of the concentration. The electrochemical reactions are coupled with the electrophoretic transfer of the negatively charged NPs on toward the anode, with the ohmic-type behavior in the bulk demonstrated by the nearly linear voltametric cathodic curves and frequency-independent impedance above ∼10–100 Hz. Accumulation and clogging of the NPs retards diffusion near anode. Hydrogen and especially oxygen evolution are arrested, and very large oxidation overpotentials result in extraordinary wide, up to 12 V, electrochemical window of water stability. The findings shed light onto basic features of the electrochemistry of high-concentration colloids without added electrolyte and their potential applications in redox flow batteries, electrophoretic deposition and beyond. KW - Nanoplastics KW - SAXS KW - Small-angle X-ray scattering PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-644340 DO - https://doi.org/10.1016/j.jcis.2025.139247 SN - 0021-9797 VL - 703 SP - 1 EP - 18 PB - Elsevier Inc. AN - OPUS4-64434 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Rossi, Andrea A1 - Corrao, Elena A1 - Alladio, Eugenio A1 - Drobne, Damjana A1 - Hodoroaba, Vasile-Dan A1 - Jurkschat, Kerstin A1 - Kononenko, Veno A1 - Madbouly, Loay Akmal A1 - Mrkwitschka, Paul A1 - Yasamin, Nakhli A1 - Novak, Sara A1 - Radnik, Jörg A1 - Saje, Špela A1 - Santalucia, Rosangela A1 - Sordello, Fabrizio A1 - Pellegrino, Francesco T1 - Multivariate optimization and characterization of graphene oxide via design of experiments and chemometric analysis N2 - Controlling the structure and properties of graphene oxide (GO) remains a challenge due to the poor reproducibility of conventional synthetic protocols and limited understanding of parameter-property relationships. In this study, we present an integrated analytical framework that combines Design of Experiments (DoE) with chemometric modelling to systematically assess the effects of eight synthesis variables on GO’s physicochemical and functional features. A Plackett–Burman experimental design enabled efficient screening of synthesis conditions, while comprehensive characterization (spanning UV–Vis spectroscopy, XPS, SEM–EDX, TEM–EDX, and XRD) was coupled with multivariate tools (Principal Component Analysis and Multiple Linear Regression) to identify statistically significant correlations between synthetic inputs and material responses. Notably, we demonstrate that UV–Vis spectra can serve as a robust proxy for oxidation state, offering a rapid and accessible alternative to surface-sensitive methods. The approach yields a predictive analytical toolkit for guiding GO synthesis and highlights a generalizable strategy for the rational design of flat nanomaterials. This work supports reproducible, resource-efficient material development aligned with Safe and Sustainable by Design (SSbD) principles. KW - Graphene oxide KW - 2D-materials KW - Design of Experiment KW - Synthesis KW - Chemometric analysis PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652576 DO - https://doi.org/10.1016/j.flatc.2025.100988 SN - 2452-2627 VL - 55 SP - 1 EP - 9 PB - Elsevier B.V. AN - OPUS4-65257 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Huber, Norbert T1 - Machine learning in materials science and engineering – best practice, perspectives and pitfalls N2 - Machine learning (ML) is increasingly utilized to support the data driven analysis of relationships in multidimensional parameter spaces, ideally as an entry point for a more general phenomenological or physics-based model development. Applications include both forward and inverse problems as well as forward problems, for example parameter identification or modeling of structure-property relationships. The talk will give an overview over a variety of solutions that benefit from the capability of artificial neural networks to approximate and interpolate complex relationships that are represented by a set of sparse data. The reason behind is that numerical simulations as well as experiments do often not allow to generate enough data such that the data set is not sufficient for a deep-learning approach in connection with the complexity of the problem at hand. After a short introduction to artificial neural networks along with recommendations for data generation and feature engineering, the talk will cover a range of examples from nanoindentation and material parameter identification, the improvement of characterization techniques by ML correction methods towards recent problems in the prediction of structure-property relationships for materials with complex microstructure. All these examples have in common that a successful ML model typically requires a comprehensive understanding of existing knowledge, expertise in translating this knowledge into meaningful input features, a compact ML architecture, and robust validation of the trained model. The talk will conclude with the example of nanoporous metals that demonstrates the importance of high-quality and bias-free data for the applicability and trustworthiness of the trained model, also emphasizing the need for a culture of open data, specifically towards curated data sets for training and validation of ML models. T2 - WW-Colloquium Department of Materials Science and Engineering CY - Nuremberg, Germany DA - 13.01.2026 KW - Machine learning KW - Nanoindentation KW - Material testing KW - Nanoporous metals PY - 2026 AN - OPUS4-65358 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ruehle, Bastian T1 - MINERVA-OS: The Orchestrator of our SDL for Nano and Advanced Materials Synthesis N2 - We present our SDL "Minerva" and its' Orchestrator "Minerva-OS". We discuss the general architecture of the orchestrator, the problems our orchestration solution solves, associated objectives, and success criteria. We demonstrate how a user would interact with it and give examples of what it has already been used for. We also provide some explanation of the available and planned features, and how workflows/experiments are represented. Lastly, we discuss key technical challenges we faced during development. T2 - Orchestration Alignment Virtual Workshop CY - Online meeting DA - 20.01.2026 KW - Self Driving Labs KW - Materials Acceleration Platforms KW - Workflows KW - Orchestration PY - 2026 AN - OPUS4-65422 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Onyenso, Gabriel A1 - AI-Zawity, Jiwar A1 - Farahbakhsh, Nastaran A1 - Schardt, Annika A1 - Yadigarli, Aydan A1 - Vakamulla Raghu, Swathi Naidu A1 - Engelhard, Carsten A1 - Müller, Mareike A1 - Schönherr, Holger A1 - Killian, Manuela S. T1 - Novel Ag-modified zirconia nanomaterials with antibacterial activity N2 - The outcome of an implant procedure largely depends on the implant's surface properties. Biomaterials are now designed to have surfaces with multifunctionality, such as favorable tissue integration and the ability to combat bacterial adhesion and colonization. Herein, we report on a simple approach to improve the antibacterial properties of zirconia nanotubes (ZrNTs) coatings by decorating with silver nanoparticles (AgNP), achieved through electrochemical anodization of a zirconium–silver alloy (Zr–Ag). The AgNPs were shown to partially consist of Ag2O, potentially enhancing the availability of Ag+ ions for antibacterial activity. The modified ZrNTs were characterized using SEM, EDS, ToF-SIMS, and XPS to determine their structural morphology and chemical composition, and were further subjected to antibacterial testing. The silver and zirconium ion release behavior was monitored via ICP-MS. ZrNTs decorated with AgNP exhibit strong antimicrobial activity (>99% bacterial killing) against both S. aureus and E. coli. Antimicrobial tests indicate that the antibacterial activity against the Gram-positive pathogen S. aureus was improved by a factor of 100 compared to unmodified ZrNTs, while unmodified ZrNTs already showed a comparable reduction of viable Gram-negative E. coli. This strategy illustrates a straightforward and effective modification that optimizes the interface between the host environment and the biomaterial surface to meet the very important criteria of biocompatibility and active antibacterial response. KW - Mass Spectrometry KW - Nanoparticles KW - Advanced Materials KW - ICP-MS KW - Antimicrobial material KW - ToF-SIMS PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653990 DO - https://doi.org/10.1039/d5ra07099f SN - 2046-2069 VL - 16 IS - 3 SP - 2286 EP - 2297 PB - Royal Society of Chemistry (RSC) AN - OPUS4-65399 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 - 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 - JOUR A1 - Pomorska Gawel, A. A1 - Dąbkowska, M. A1 - Kosior, D. A1 - Batys, P. A1 - Szatanik, A. A1 - Witt, Julia A1 - Özcan Sandikcioglu, Özlem A1 - Michna, A. T1 - Multiscale insights into fibroblast growth factor 23 adsorption on polyelectrolyte layers: From molecular properties to biointerfaces N2 - Fibroblast growth factor 23 (FGF23) is a clinically significant protein hormone regulating phosphate and vitamin D metabolism, with elevated levels linked to chronic kidney disease, cardiovascular disorders, and impaired bone homeostasis. Despite its relevance as both a biomarker and a therapeutic target, its interactions with functional biomaterials remain poorly understood. In this work, we investigate the FGF23 adsorption on polyelectrolyte layers using a combination of theoretical modeling and experimental methods. Theoretical calculations provided insights into the protein's charge distribution and diffusion properties, while experimental measurements quantified its hydrodynamic diameter, electrophoretic mobility, and electrokinetic charge over a broad range of pH values. Microscale thermophoresis revealed quantitative binding affinities of FGF23 to hyaluronic acid, chitosan, and poly(diallyldimethylammonium chloride). Adsorption studies on mica, silica, and polyelectrolyte mono- and bilayers showed that FGF23 binds to both negatively and positively charged substrates, with binding affinities following: hyaluronic acid < poly(diallyldimethylammonium chloride) < chitosan. Desorption occurred more readily from negatively charged surfaces (mica, silica and hyaluronic acid), indicating weaker interactions compared to positively charged layers. These results reveal fundamental aspects of protein –polyelectrolyte interactions and highlight the reversible binding capacity of FGF23 to negatively charged surfaces. Such adsorption behavior provides a physicochemical framework for considering FGF23-polyelectrolyte systems in the design of therapeutic carriers and bioactive materials. However, any direct relevance to wound healing, chronic kidney disease, or cardiovascular disorders remains prospective and requires dedicated biological validation. KW - Molecular dynamics KW - Streaming potential measurements KW - Adsorption KW - Stability KW - Binding affinity PY - 2026 DO - https://doi.org/10.1016/j.ijbiomac.2026.150221 SN - 0141-8130 VL - 341 IS - Part 1 SP - 1 EP - 14 PB - Elsevier B.V. AN - OPUS4-65415 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - George, Janine T1 - Robust Data Generation, Heuristics and Machine Learning for Materials Design N2 - My talk covered, among other things, robust data generation for machine learning. It showed how heuristics can be used within machine learning models and how they might also be extracted from machine learning models. Beyond this, I showed an automated pipeline for training machine learning potentials. T2 - Workshop on AI in Sustainable Materials Science CY - Düsseldorf, Germany DA - 27.01.2026 KW - Automation KW - Digitalisation KW - Materials Design KW - Thermal Conductivity KW - Chemical bonding KW - Materials Acceleration Platforms PY - 2026 AN - OPUS4-65427 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - George, Janine T1 - Robust Data Generation, Heuristics and Machine Learning for Materials Design N2 - My talk covered, among other things, robust data generation for machine learning. It showed how heuristics can be used within machine learning models and how they might also be extracted from machine learning models. Beyond this, I showed an automated pipeline for training machine learning potentials. T2 - Seminar Gruppe Stephan Roche CY - Barcelona, Spain DA - 22.01.2026 KW - Automation KW - Machine Learning KW - Materials Acceleration Platforms KW - Thermal Conductivity KW - Phonons KW - Bonding Analysis PY - 2026 AN - OPUS4-65428 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Rurack, Knut T1 - Functional polymeric coatings for sensory applications N2 - The growing demand for the detection of relevant chemical compounds as close as possible to their point of origin—whether in industrial processes, for (civilian or military) security, or for environmental monitoring—has increased the importance of functional polymers with molecular recognition capabilities. These materials must meet practical requirements arising from very different real-world scenarios in which simple, robust, and field-deployable approaches are needed and in which bioanalytical binders often suffer significant performance losses. Polymer recognition matrices therefore serve as an essential complement to established laboratory-based analytical technologies. The realization of rapid and reliable onsite detection places specific demands on material design: polymeric recognition layers must be produced with minimal thickness, integrated onto suitable carrier media, and designed for both selectivity and operational robustness. This presentation will introduce our work on molecularly imprinted polymers (MIPs) that have been specifically developed for the detection of relevant contaminants such as pesticides and perfluorinated compounds. Beyond these target analytes, the presentation will show how such polymer layers can support robust, sustainable diagnostic concepts, and it will outline generalizable design principles that enable their extension to a broad spectrum of analytical challenges. T2 - Institutskolloquium des Instituts für Chemie, Humboldt Universität zu Berlin CY - Berlin, Germany DA - 28.01.2026 KW - Functional organic materials KW - Responsive polymers KW - Sensing KW - Molecularly imprinted polymers PY - 2026 AN - OPUS4-65435 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Radnik, Jörg T1 - The role of Critical Raw Materials in Advanced Materials for the Energy Transition N2 - Based on the UBA report “Advanced materials for energy transition” by Xenia Knigge and Jörg Radnik the role of critical raw materials is discussed. Critical raw materials are needed in main fields of the energy transition, like photovoltaic, fuel cells, wind energy, and batteries. For the optimisation of the use of these materials different scenarios are discussed like (i) decreasing the needed amount of raw materials, (ii) searching for alternatives, (iii) using technologies which do not require critical raw materials, (iv) increasing the recycling rates, and (v) expanding the raw material sources. T2 - IRISS policy dialogue CY - Online meeting DA - 12.01.2026 KW - Solar Cells KW - Fuel cells KW - Batteries KW - Multi-use materials PY - 2026 AN - OPUS4-65451 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bartczak, Dorota A1 - Sikora, Aneta A1 - Goenaga-Infante, Heidi A1 - Altmann, Korinna A1 - Drexel, Roland A1 - Meier, Florian A1 - Alasonati, Enrica A1 - Lelong, Marc A1 - Cado, Florence A1 - Chivas-Joly, Carine A1 - Fadda, Marta A1 - Sacco, Alessio A1 - Rossi, Andrea Mario A1 - Pröfrock, Daniel A1 - Wippermann, Dominik A1 - Barbero, Francesco A1 - Fenoglio, Ivana A1 - Booth, Andy M. A1 - Sørensen, Lisbet A1 - Igartua, Amaia A1 - Wouters, Charlotte A1 - Mast, Jan A1 - Barbaresi, Marta A1 - Rossi, Francesca A1 - Piergiovanni, Maurizio A1 - Mattarozzi, Monica A1 - Careri, Maria A1 - Caebergs, Thierry A1 - Piette, Anne-Sophie A1 - Parot, Jeremie A1 - Giovannozzi, Andrea Mario T1 - Multiparameter characterisation of a nano-polypropylene representative test material with fractionation, light scattering, high-resolution microscopy, spectroscopy, and spectrometry methods N2 - Reference and quality control materials with comparable physicochemical properties to nanoplastic contaminants present in environmental and food nanoplastics are currently lacking. Here we report a nanoplastic polypropylene material prepared using a top-down approach involving mechanical fragmentation of larger plastics. The material was found to be homogeneous and stable in suspension and has been characterised for average particle size, size distribution range, particle number concentration, polypropylene mass fraction and inorganic impurity Content using a wide range of analytical methods, including AF4, cFFF, PTA, (MA)DLS, MALS, SEM, AFM, TEM, STEM, EDS,Raman, ICP-MS and pyGC-MS. The material was found to have a broad size distribution, ranging from 50 nm to over 200 nm, with the average particle size value dependent on the technique used to determine it. Particle number concentration ranged from 1.7–2.4 × 1010 g−1 , according to PTA. Spectroscopy techniques confirmed that the material was polypropylene, with evidence of aging due to an increased level of oxidation. The measured mass fraction was found to depend on the marker used and ranged between 3 and 5 μg g−1 . Inorganic impurities such as Si, Al, Mg, K, Na, S, Fe, Cl and Ca were also identified at ng g−1 levels. Comparability and complementarity across the measurement methods and techniques is also discussed. KW - Polypropylene KW - Nanoplastics KW - Analytics KW - Reference material KW - Scattering methods PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654680 DO - https://doi.org/10.1039/D5EN00917K SN - 2051-8153 SP - 1 EP - 15 PB - Royal Society of Chemistry (RSC) AN - OPUS4-65468 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Rahner, E. A1 - Thiele, T. A1 - Voss, Heike A1 - Müller, F.A. A1 - Bonse, Jörn A1 - Gräf, S. T1 - Objective, high-throughput regularity quantification of laser-induced periodic surface structures (LIPSS) N2 - The growing demand for precise surface functionalization through laser-generated periodic surface structures highlights the necessity for efficient, reproducible, and objective evaluation methods to evaluate their structural regularity. We introduce ReguΛarity (v.1.2.7), a freely available, Python-based software with a graphical user interface for the automated, quantitative assessment of the regularity of laser-induced periodic surfaces structures (LIPSS), obtained from optical microscopy, SEM, or AFM. The software integrates image segmentation, one- and two-dimensional Fourier analyses, and gradient-based orientation determination to facilitate a comprehensive regularity analysis of grating-like (quasi-)periodic surface patterns with spatial periods Λ. This is achieved through the proposed regularity tuple R, composed of five key parameters: the normalized spread of the spatial period RΛ,2D (from 2D-FT), the normalized variation of the most frequent spatial period RΛ (from 1D-FT), the Gini coefficient G, the Dispersion of the LIPSS Orientation Angle δθ (DLOA), and the mean phase deviation . To demonstrate its applicability, we compare ideal sinusoidal patterns with SEM images obtained from LIPSS on stainless steel (AISI 316L) and aluminum alloy (AlMg5) surfaces, confirming the software’s ability to objectively distinguish between varying levels of structural regularity. ReguΛarity facilitates high-throughput analysis and data-driven process optimization in surface engineering and laser materials processing. KW - Laser-induced periodic surface structures (LIPSS) KW - Image processing KW - Regularity quantification KW - Fourier analysis KW - Structural homogeneity PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654070 DO - https://doi.org/10.1016/j.apsusc.2026.165919 SN - 0169-4332 VL - 726 SP - 1 EP - 12 PB - Elsevier B.V. AN - OPUS4-65407 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schusterbauer, Robert A1 - Mrkwitschka, Paul A1 - Sahre, Mario A1 - Corrao, Elena A1 - Zurutuza, Amaia A1 - Doolin, Alexander A1 - Pellegrino, Francesco A1 - Radnik, Jörg A1 - Donskyi, Ievgen S. A1 - Hodoroaba, Vasile-Dan T1 - Correlative Chemical Imaging to Reveal the Nature of Different Commercial Graphene Materials N2 - Proper physicochemical characterization of advanced materials and complex industrial composites remains a significant challenge, particularly for nanomaterials, whose nanoscale dimensions and mostly complex chemistry challenge the analysis. In this work, we employed a correlative analytical approach that integrates atomic force microscopy (AFM), scanning electron microscopy (SEM) coupled with energy‐dispersive X‐ray spectroscopy (EDS), time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS), Auger electron spectroscopy (AES), and Raman spectroscopy. This combination enables detailed chemical and structural characterization with sub‐micrometer spatial resolution. Three commercial graphene‐based materials of varying complexity were selected and investigated to test the analytical performance of this approach. Furthermore, one of the commercial graphene oxide samples was chemically functionalized via amination and fluorination. This allowed us to assess how surface modifications influence both the material properties and the limits of the applied analytical techniques. KW - Analytical methods KW - Commercial products KW - Correlative analysis KW - Graphene KW - Surface imaging PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654765 DO - https://doi.org/10.1002/smtd.202502344 SN - 2366-9608 SP - 1 EP - 10 PB - Wiley VHC-Verlag AN - OPUS4-65476 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kärcher, Victor A1 - Reiker, Tobias A1 - da Costa, Pedro F.G.M. A1 - de Camargo, Andrea S.S. A1 - Zacharias, Helmut T1 - Quantum control in size selected semiconductor quantum dot thin films N2 - We introduce a novel technique for coherent control that employs resonant internally generated fields in CdTe quantum dot (QD) thin films at the L-point. The bulk band gap of CdTe at the L-point amounts to 3.6 eV, with the transition marked by strong Coulomb coupling. Third harmonic generation (λ3 = 343 nm, hν = 3.61 eV) for a fundamental wavelength of λ 1 = 1,030 nm is used to control quantum interference of three-photon resonant paths between the valence and conduction bands. Different thicknesses of the CdTe QDs are used to manipulate the phase relationship between the external fundamental and the internally generated third harmonic, resulting in either suppression or strong enhancement of the resonant third harmonic, while the nonresonant components remain nearly constant. This development could pave the way for new quantum interference–based applications in ultrafast switching of nanophotonic devices. KW - Nonlinear nanophotonics KW - Quantum interference KW - Third harmonic KW - Coherent control KW - Thin films KW - Quantum dots PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-625859 DO - https://doi.org/10.1515/nanoph-2024-0529 VL - 14 IS - 2 SP - 229 EP - 239 PB - Walter de Gruyter GmbH AN - OPUS4-62585 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Arai, Marylyn Setsuko A1 - Ravaro, Leandro Piaggi A1 - Brambilla, Gabriel A1 - Maia, Lauro June Queiroz A1 - Reza Dousti, Mohammad A1 - de Camargo, Andrea Simone Stucchi T1 - Upconverting Nanoparticles and Cu(I) Complex-Based Platform for Oxygen Sensing, Thermometry, and Emission Color Tuning N2 - Multifunctional nanoplatforms combine different material properties to meet a wide range of applications, allowing highly customizable systems. In this rapidly advancing research field, we introduce a multifunctional nanomaterial based on the synergy between Tm3+-doped upconverting nanoparticles (UCNPs) and a Cu(I) complex (CuCom). This material is designed for oxygen sensing, optical thermometry, and emission color tuning. In various concentrations, the CuCom complex was electrostatically integrated into a mesoporous silica shell surrounding the core UCNPs (UCNP@mSiO2). The optimized system, UCNP@mSiO2@CuCom-10, was evaluated for different applications. Due to the spectral overlap between the CuCom absorption and the nanoparticles emission, excitation at 980 nm allows most of the UV-blue emission output from the UCNPs to be transferred to the CuCom via luminescent resonance energy transfer (LRET), producing red emission from the molecule. The remaining Tm3+ emission enables optical thermometry, while CuCom’s sensitivity to molecular oxygen supports its application in gas sensing. In upconversion mode, the nanoplatform achieved a Stern−Volmer constant for O2 sensing of 1.64 and demonstrated thermometric relative sensitivities of 0.9% and 1% K−1 at room temperature, with a linear response from 193 to 373 K. Additionally, the emission color of UCNP@mSiO2@CuCom-10 can be tuned from blue to white and yellow, by varying the excitation and temperature, adding further functionality to the system. This multifunctional platform suggests promising applications in biology, medicine, and environmental monitoring. KW - M KW - O2 sensing KW - Upconversion KW - Luminescence resonance energy transfer (LRET) KW - Optical thermometry KW - Mesoporous silica shell PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-625869 SN - 2574-0970 DO - https://doi.org/10.1021/acsanm.4c06351 VL - 8 SP - 854 EP - 862 PB - American Chemical Society (ACS) AN - OPUS4-62586 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Omar, Hassan A1 - Ahmadi, Shayan A1 - Szymoniak, Paulina A1 - Schönhals, Andreas T1 - Molecular Mobility of Thin Films of Poly (bisphenol-A carbonate) Capped and with one Free Surface: From Bulk-like Samples down to the Adsorbed Layer N2 - The molecular mobility of thin films of poly(bisphenol A carbonate) (PBAC) was systematically investigated using broadband dielectric spectroscopy, employing two distinct electrode configurations. First, films were prepared in a capped geometry between aluminum electrodes employing a crossed electrode capacitor (CEC) configuration, down to film thicknesses of 40 nm. The Vogel temperature, derived from the temperature dependence of relaxation rate of the α-relaxation, increases with decreasing film thickness characterized by an onset thickness. The onset thickness depends on the annealing conditions, with less intense annealing yielding a lower onset thickness. Additionally, a broadening of the β-relaxation peak was observed with decreasing thickness, attributed to the interaction of phenyl groups with thermally evaporated aluminum, resulting in a shift of certain relaxation modes to higher temperatures relative to the bulk material. A novel phenomenon, termed the slow Arrhenius process (SAP), was also identified in proximity to the α-relaxation temperature. For films with thicknesses below 40 nm, nanostructured electrodes (NSE) were utilized, incorporating nanostructured silica spacers to establish a free surface with air. This free surface causes an enhancement in the molecular mobility for the 40 nm sample, preserving the β-relaxation as a distinct peak. The α-relaxation was detectable in the dielectric loss down to 18 nm, shifting to higher temperatures as film thickness is decreased. Notably, the onset thickness for the increase in Vogel temperature was lower in the NSE configuration compared to the CEC setup, attributed to the presence of the polymer-air interface. KW - Thin polymer films PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-623422 DO - https://doi.org/10.1039/d4sm01238k SN - 1744-6848 VL - 21 IS - 2 SP - 241 EP - 254 PB - RSC AN - OPUS4-62342 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - McGonigle, Rebecca A1 - Glasgow, Jodie A1 - Houston, Catriona A1 - Cameron, Iain A1 - Homann, Christian A1 - Black, Dominic J. A1 - Pal, Robert A1 - MacKenzie, Lewis E. ED - MacKenzie, Lewis E. T1 - Autoclave reactor synthesis of upconversion nanoparticles, unreported variables, and safety considerations N2 - Autoclave reactors are widely used across chemical and biological sciences, including for the synthesis of upconversion nanoparticles (UCNPs) and other nanomaterials. Yet, the details of how autoclave reactors are used in such synthesis are rarely reported in the literature, leaving several key synthesis variables widely unreported and thereby hampering experimental reproducibility. In this perspective, we discuss the safety considerations of autoclave reactors and note that autoclaves should only be used if they are (a) purchased from reputable suppliers/manufacturers and (b) have been certified compliant with relevant safety standards. Ultimately, using unsuitable autoclave equipment can pose a severe physical hazard and may breach legal safety requirements. In addition, we highlight several parameters in autoclave synthesis that should be reported as standard to maximise the reproducibility of autoclave synthesis experiments across materials and chemistry research. We encourage users of autoclave synthesis vessels to: (1) adopt high-safety autoclaves and (2) report the many experimental variables involved to enhance experimental reproducibility. KW - Reference material KW - Nano KW - Particle KW - Shell KW - Fluorescence KW - Lifetime KW - Decay kinetics KW - Synthesis KW - Quality assurance KW - Method KW - Energy transfer KW - Upconversion KW - Autoclave synthesis KW - Data comparability PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-625672 DO - https://doi.org/10.1038/s42004-025-01415-3 VL - 8 IS - 1 SP - 1 EP - 7 PB - Springer Science and Business Media LLC AN - OPUS4-62567 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Xu, Q. A1 - Szymoniak, Paulina A1 - Kolmangadi, Mohamed A. A1 - Yang, Z. A1 - Wang, S. A1 - Gao, Y. A1 - Shang, J. A1 - Hunger, J. A1 - Aldiyarov, A. A1 - Schönhals, Andreas A1 - Ge, Y. A1 - Qi, Z. T1 - Molecular engineering of supramolecular polymer adhesive with confined water and a single crown ether N2 - Here, we report a water-induced supramolecular polymer built from confined structural water and an intrinsic amphiphilic macrocyclic self-assembly in a nanophase separated structure. The newly designed crown ether macrocycle, featuring strong hydrophilic hydrogen bonding receptor selenoxide and a synergistical hydrophobic selenium-substituted crown core, confines the structural water in a segregated, interdigitated architecture. Although water molecules typically freeze around 0 °C, the confined structural water in this supramolecular polymer remains in a liquid-like state down to 80 °C. Previous studies suggest that multiple crown ether units are needed to generate structural water. However, here, one unit is sufficient to control the formation and disappearance of structural water and consequent supramolecular polymerization. Typically, the DC conductivity of water shows Arrhenius temperature dependency (lnσDC ∝ 1/T). In contrast, this new crown unit maintains water in confined states, which exhibit a Vogel/Fulcher/Tammann behavior (lnσDC ∝ 1/(T-T0)) at temperatures above the glass transition temperature. Moreover, this water-induced supramolecular polymer exhibits remarkable adhesion properties to hydrophilic surfaces and maintains tough adhesion at low temperatures. These findings show how a single small macrocycle can govern the complex structure and functionality of water in supramolecular systems. KW - Supramolecular polymerization PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-623631 DO - https://doi.org/10.1039/D4SC06771A SN - 2041-6539 VL - 16 SP - 1 EP - 9 PB - RSC AN - OPUS4-62363 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Duarte Bernardino, Carolina A1 - Lee, Mihyun A1 - Ren, Qun A1 - Ruehle, Bastian T1 - Facile Spray-Coating of Antimicrobial Silica Nanoparticles for High-Touch Surface Protection N2 - The rising threat from infectious pathogens poses an ever-growing challenge. Metal-based nanomaterials have gained a great deal of attention as active components in antimicrobial coatings. Here, we report on the development of readily deployable, sprayable antimicrobial surface coatings for high-touch stainless steel surfaces that are ubiquitous in many healthcare facilities to combat the spread of pathogens. We synthesized mesoporous silica nanoparticles (MSNs) with different surface functional groups, namely, amine (MSN-NH2), carboxy (MSN-COOH), and thiol groups (MSN-SH). These were chosen specifically due to their high affinity to copper and silver ions, which were used as antimicrobial payloads and could be incorporated into the mesoporous structure through favorable host−guest interactions, allowing us to find the most favorable combinations to achieve antimicrobial efficacy against various microbes on dry or semidry high-touch surfaces. The antimicrobial MSNs were firmly immobilized on stainless steel through a simple two-step spray-coating process. First, the stainless steel surfaces are primed with sprayable polyelectrolyte solutions acting as adhesion layers, and then, the loaded nanoparticle dispersions are spray-coated on top. The employed polyelectrolytes were selected and functionalized specifically to adhere well to stainless steel substrates while at the same time being complementary to the MSN surface groups to enhance the adhesion, wettability, homogeneity, and stability of the coatings. The antimicrobial properties of the nanoparticle suspension and the coatings were tested against three commonly found pathogenic bacteria, Staphylococcus aureus, Pseudomonas aeruginosa, and Escherichia coli, as well as a fungal pathogen, Candida albicans. Especially MSN-SH loaded with silver ions showed excellent antimicrobial efficacy against all tested pathogens under application-relevant, (semi)dry conditions. The findings obtained here facilitate our understanding of the correlation between the surface properties, payloads, and antimicrobial activity and show a new pathway toward simple and easily deployable solutions to combat the spread of pathogens with the help of sprayable antimicrobial surface coatings. KW - Mesoporous silica nanoparticles KW - Thin films KW - Antimicrobial coatings KW - Spray-coating KW - Infectious diseases KW - Pathogen transmission KW - High-touch surfaces PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-626269 DO - https://doi.org/10.1021/acsami.4c18916 SN - 1944-8252 SP - 1 EP - 13 PB - ACS Publications CY - Washington, DC AN - OPUS4-62626 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Senbill, Haytham A1 - Gangan, Amr A1 - Saeed, Ahmed M. A1 - Gad, Mohammed E. A1 - Zeb, Jehan A1 - Fahmy, Alaa T1 - Effects of copper/graphene oxide core-shell nanoparticles on Rhipicephalus ticks and their detoxification enzymes N2 - Nanopesticides have been recently introduced as novel pesticides to overcome the drawbacks of using traditional synthetic pesticides. The present study evaluated the acaricidal activity of Copper/Graphene oxide core-shell nanoparticles against two tick species, Rhipicephalus rutilus and Rhipicephalus turanicus. The Copper/Graphene oxide core-shell nanoparticles were synthetized through the solution plasma (SP) method under different conditions. The nanoparticles synthesized at 180 W and 45 min were highly toxic to Rh. rutilus and Rh. turanicus, with 50% lethal concentration (LC50) values of 248.1 and 195.7 mg ml−1, respectively, followed by those which were synthesized at 120 W/30 mins (LC50 = 581.5 and 526.5 mg ml−1), 120 W/15 mins (LC50 = 606.9 and 686.7 mg ml−1), and 100/45 mins (LC50 = 792.9 and 710.7 mg ml−1), after 24 h of application. The enzyme assays revealed that 180 W/45 min treatment significantly inhibited the activity of acetylcholinesterase (115 ± 0.81 and 123 ± 0.33 U/ mg protein/min) and superoxide dismutase (290 ± 0.18 and 310 ± 0.92 U/ mg protein/min) in Rh. rutilus and Rh. turanicus, respectively, as compared with the negative control. The results also revealed a significantly increased catalase activity (895 ± 0.37 and 870 ± 0.31 U/ mg protein/min) in Rh. rutilus and Rh. turanicus, respectively. The above results indicated that Copper/Graphene oxide core-shell nanoparticles could be a promising alternatives for the management of ticks. KW - Copper/graphene oxide KW - Nanopesticides KW - Rhipicephalus rutilus KW - Rhipicephalus turanicus KW - Acetylcholinesterase KW - Antioxidants PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-629359 DO - https://doi.org/10.1038/s41598-025-86560-4 SN - 2045-2322 VL - 15 SP - 1 EP - 12 PB - Springer Nature CY - London AN - OPUS4-62935 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hörmann, Anja Franziska T1 - GISAXS and XRR for STOP - M30 update N2 - With a representative set of samples measured in reflection geometry at the MOUSE we lead through our recent advances in this talk. A thin polystyrene film serves as an example for X-ray reflectivity and we show the effect of polishing on the reflectivity of stainless steel. Polystyrene spheres spin-coated onto different substrates including the polished stainless steel are demonstrated to show the characteristic scattering of spherical particles in GISAXS. We conclude with the first GISAXS data from laser-induced periodic surface structures (LIPSS) recorded at the MOUSE. T2 - M30 project meeting Surface Transfer of Pathogens (STOP) CY - Sofia, Bulgaria DA - 27.02.2025 KW - X-ray reflectivity KW - Substrate roughness KW - Grazing incidence KW - Particle-based coating PY - 2025 AN - OPUS4-62777 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ruehle, Bastian T1 - Natural language processing for automated workflow and knowledge graph generation in self-driving labs N2 - Natural language processing with the help of large language models such as ChatGPT has become ubiquitous in many software applications and allows users to interact even with complex hardware or software in an intuitive way. The recent concepts of Self-Driving Labs and Material Acceleration Platforms stand to benefit greatly from making them more accessible to a broader scientific community through enhanced user-friendliness or even completely automated ways of generating experimental workflows that can be run on the complex hardware of the platform from user input or previously published procedures. Here, two new datasets with over 1.5 million experimental procedures and their (semi)automatic annotations as action graphs, i.e., structured output, were created and used for training two different transformer-based large language models. These models strike a balance between performance, generality, and fitness for purpose and can be hosted and run on standard consumer-grade hardware. Furthermore, the generation of node graphs from these action graphs as a user-friendly and intuitive way of visualizing and modifying synthesis workflows that can be run on the hardware of a Self-Driving Lab or Material Acceleration Platform is explored. Lastly, it is discussed how knowledge graphs – following an ontology imposed by the underlying node setup and software architecture – can be generated from the node graphs. All resources, including the datasets, the fully trained large language models, the node editor, and scripts for querying and visualizing the knowledge graphs are made publicly available. KW - Natural Language Processing KW - Large Language Models KW - Self-Driving Labs KW - Materials Acceleration Platforms KW - Workflows KW - Nanomaterials KW - Advanced Materials PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-631947 UR - https://github.com/BAMresearch/MAPz_at_BAM/tree/main/Minerva-Workflow-Generator DO - https://doi.org/10.1039/d5dd00063g SN - 2635-098X SP - 1 EP - 10 PB - Royal Society of Chemistry (RSC) AN - OPUS4-63194 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Zaki, Mohammad T1 - Nano- And Advanced Materials Synthesis In A Self-driving Lab (SDL) N2 - Development of new nano- and advanced materials - or improvement of existing ones - are important drivers in materials research due to the high importance of these material classes for various applications. Traditional laboratory methods for material development often suffer from reproducibility issues, inefficiencies, human errors, and long experimental optimization times. To overcome these challenges and thus accelerate and optimize the process of material synthesis and discovery, we are building a Self-Driving Lab (SDL), in which we integrate robotics for autonomous nanomaterial synthesis, and automated characterization and data analysis for a complete and reliable nanomaterial synthesis workflow. We also leverage artificial intelligence (AI) and machine learning (ML) algorithms to analyze characterization results and plan new experiments to optimize material properties in an ML-guided active learning feedback loop. Our SDL is very agnostic towards the types of nano- and advanced materials it can synthesize. On the same SDL platform, we successfully synthesized Stober silica, mesoporous silica, copper-oxide, and gold nanoparticles, as well as metal-organic frameworks and more complex structures from multi-step reactions, such as Au@SiO2 and CuO@SiO2 core-shell nanoparticles. All these material syntheses showed excellent reproducibility when run on the SDL platform multiple times. Automated, in-line characterization measurements of hydrodynamic diameter, zeta potential, and optical properties (absorbance, fluorescence) of the nanomaterials have also been incorporated in the SDL, along with automating data analysis of at-line or off-line characterization techniques such as electron microscopy image analyses [1]. Incorporating these characterization results alongside a machine learning feedback loop that suggests new experimental parameters for obtaining materials with target properties is a key step for developing autonomous, closed-loop optimization processes. In such a process, we typically start by using random sampling to suggest initial experimental parameters, followed by ML-guided active learning algorithms such as Bayesian optimization, artificial neural networks, or downhill simplex optimizers (e.g., Nelder-Mead) that suggest new synthesis parameters to finally arrive at a material with the targeted or enhanced properties. Further improvement and optimization of our SDL has the potential to mitigate challenges faced by traditional approaches and open a way for rapid and reproducible nano- and advanced material synthesis, optimization, and discovery. T2 - ANAKON Conference 2025 CY - Leipzig, Germany DA - 10.03.2025 KW - Self-driving laboratories KW - Materials acceleration platforms KW - Nanomaterials KW - Advanced materials KW - Automation KW - Robotics KW - In-line characterization PY - 2025 AN - OPUS4-62737 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schoenhals, Andreas T1 - The bahvior of inonic liquid crystals as investigated by broadband dielectric spectroscopy and complementary methodas N2 - The behavior of liquid crystals based on phenylbenzoate was investigated using broadband dielectric spectroscopy and advanced calorimetry. The length of the alkyl side chain was systematically varied from 8 to 16 carbon atoms. The experimental results were compared with those obtained from molecular dynamics simulations. T2 - Sympoium: "Dipoles is soft matter - How they move and organize" CY - Leuven, Belgium DA - 06.06.2025 KW - Ionic liquid crystals PY - 2025 AN - OPUS4-63316 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Szymoniak, Paulina A1 - Juranyi, F. A1 - Kruteva, M. A1 - Zorn, R. A1 - Schönhals, Andreas T1 - Low-Frequency Vibrational Density of States of Nanophase- Separated Poly(n‑alkyl methacrylate)s: Confined Phonons and Relationship to Specific Heat N2 - This study investigates the low-frequency vibrational Density of states of nanophase-separated poly(n-alkyl methacrylate)s (PnMAs) and its relationship to specific heat. This system undergoes a nanophase separation for n > 1 in alkyl side chain-rich domains and a backbone-rich matrix. Using inelastic neutron scattering, the low-frequency vibrational density of states (Boson peak, BP) of PnMAs with varying alkyl side chain lengths (methyl, butyl, hexyl, and octyl) is measured. The results reveal that the BP shifts to higher frequencies with increasing side chain length reaching a maximum. This result indicates a counterbalance of confinement effects and the scattering of the matrix. The behavior of the Boson peak of the PnMAs is compared to other nanophase-separated systems, such as Janus-polynorbornenes and hexakis(n-alkyloxy)triphenylene discotic liquid crystals. The study also explores the connection between the BP and specific heat capacity, showing a linear relationship between the maximum frequency of the BP and the maximum temperature of the specific heat capacity anomaly. Moreover, from the measured vibrational density of states, the specific heat capacity is calculated and compared to experimental results. The comparison reveals qualitative agreement between the calculated and experimental data. These findings provide evidence for the sound wave interpretation of the Boson peak. KW - Inelastic Neutron Scattering PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-636928 DO - https://doi.org/10.1021/acs.macromol.5c00898 SN - 1520-5835 SP - 1 EP - 12 PB - ACS Publications AN - OPUS4-63692 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gawek, Marcel A1 - Szymoniak, Paulina A1 - Hülagü, Deniz A1 - Hertwig, Andreas A1 - Schönhals, Andreas T1 - Molecular Mobility of Thin Films and the Adsorbed Layer of Poly(2-vinylpyridine) N2 - The molecular dynamics of thin films and the adsorbed layer of poly(2-vinylpyridine) (P2VP) were investigated using broadband dielectric spectroscopy (BDS) and spectroscopic ellipsometry. Thin films of P2VP were prepared on silicon substrates and characterized to understand the influence of film thickness on the thermal glass transition temperature (Tg) and molecular mobility. The ellipsometric study revealed a decrease in Tg with decreasing film thickness, attributed to the enhanced mobility at the polymer/air interface. The adsorbed layer, prepared via the solvent leaching approach, exhibited a higher Tg compared to the bulk, indicating reduced molecular mobility due to strong polymer substrate interactions. The dielectric measurements were carried out in two different electrode configurations, crossed electrode capacitors (CEC) and nanostructured electrodes (NSE), where the latter allows for a free surface layer at the polymer/air interface. The relaxation rates of the α-relaxation measured in the CEC geometry collapse into one chart independent from the film thickness. For the thin films measured in the NSE arrangement the relaxation rates slow down with decreasing film thickness which was discussed as related to a stronger interaction of the P2VP segments with the native SiO2 at the surface of the silicon substrate compared to aluminum. It is worth to note that the effect of the enhanced mobility at the polymer/air interface is not observed in the dielectric measurements. BDS measurements in NSE geometry identified an additional relaxation process (α*-relaxation) in thin films, which was more pronounced in the adsorbed layer. This process is hypothesized to be related to molecular fluctuations within the adsorbed layer including the adsorption/desorption dynamics of segments or to a Slow Arrhenius Process (SAP) related to the equilibration dynamics deep in the glassy state. KW - Thin polymer films PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-637181 DO - https://doi.org/10.1039/d5sm00539f SN - 1744-6848 SP - 1 EP - 12 PB - Royal Society of Chemistry (RSC) AN - OPUS4-63718 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Szymoniak, Paulina A1 - Kolmangadi, Mohamed A. A1 - Böhning, Martin A1 - De Souza, N. R. A1 - Juranyi, F. A1 - Zorn, R. A1 - Schönhals, Andreas T1 - Inelastic and Quasielastic Neutron Scattering on Polynorbornenes with Bulky Carbocyclic Side groups N2 - This study investigates the molecular mobility and vibrational properties of polynorbornenes with bulky carbocyclic side groups using inelastic and quasielastic neutron scattering techniques. The polymers, synthesized via metathesis and addition polymerization, exhibit varying degrees of microporosity, which ignificantly influences their gas separation performance. By inelastic neutron scattering experiments, it could be shown that all considered polymers have excess contributions to the low frequency vibrational density of states known as the Boson peak. The maximum frequency of the Boson peak correlates to the microporosity of the polymers. This correlation supports the sound wave interpretation of the Boson peak, suggesting that the microporous structure enhances the compressibility of the material at a microscopic length scale. The molecular mobility, particularly the methyl group rotation, was characterized using elastic scans and quasielastic neutron scattering. The study revealed a temperature dependent relaxation process, with the onset of molecular fluctuations observed around 200 K for the polymer containing methyl groups. For the polymer having no methyl groups only elastic scattering is observed. The methyl group rotation was analyzed in terms of a jump diffusion in a threefold potential with three equivalent energy minima. This leads to an almost correct description of the q dependence of the elastic incoherent scattering function when the number of hydrogen nuclei undergoing the methyl group rotation is considered. It was further evidenced that the fraction of methyl undergoing the methyl group rotation increases with increasing temperature. KW - Polymers of Intrinsic Microporosity KW - Neutron scattering PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630297 DO - https://doi.org/10.1016/j.polymer.2025.128358 SN - 1873-2291 VL - 328 SP - 241 PB - Elsevier Ltd. AN - OPUS4-63029 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Stühler, Merlin R. A1 - Makki, Hesam A1 - Silbernagl, Dorothee A1 - Dimde, Mathias A1 - Ludwig, Kai A1 - Tegner, Bengt E. A1 - Greve, Christopher A1 - Rausch, Konstantin A1 - Herzig, Eva M. A1 - Köhler, Anna A1 - Plajer, Alex J. T1 - Flexibility and Dynamicity Enhances and Controls Supramolecular Self-Assembly of Zinc(II) Metallogels N2 - Supramolecular self-assembly of stacked architectures is typically achieved through hydrogen bonding or π–π interactions between monomers constructed from stable and inert bonds. In contrast, coordinative interactions of early metals promise distinct self-assembly behaviour due to more flexible bonding geometries and a wider range of stabilities and exchange kinetics. In this report we demonstrate that tailoring the flexible coordination sphere of Zinc(II) complexes via subtle ligand modification promotes not only one but also three-dimensional self-assembly both thermodynamically and kinetically into higher-order fibrous morphologies, the latter being elucidated by electron tomography. As a result, coordination chemistry can be translated into both nanoscopic (fibre stiffness) and macroscopic (thermal gel stability) material properties. Utilizing dynamicity enables gelation via subcomponent self-assembly, constructing the supramolecular polymer network simultaneously with the monomer. Furthermore, coordinative dis- and reassembly via metal-ligand exchange reactions involving the first and second coordination spheres allows for control over gelation and emission of the system. Our report links concepts in supramolecular self-assembly and coordination chemistry by leveraging the unique bonding interactions that cannot be achieved for traditional monomers, promising applications in stimuli-responsive optoelectronics. KW - Nanomaterial KW - AFM KW - Organometallic KW - Gel PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-634221 DO - https://doi.org/10.1002/adfm.202507793 SN - 1616-301X SP - 1 EP - 10 PB - Wiley-VCH GmbH CY - Weinheim AN - OPUS4-63422 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hörmann, Anja Franziska T1 - My surface at a glance: grazing incidence scattering applications N2 - Three literature examples are presented to demonstrate the wide range of applications of grazing incidence scattering. These examples concern 1) the determination of the density of a porous film, 2) how orientation of conducting polymers is observed in grazing incidence scattering, and 3) how the three-dimensional order of nanoparticles is reflected in the data. To conclude we show recent data from the MOUSE lab demonstrating the new capability to observe intermolecular distances in thin films using the molybdenum X-ray source. T2 - Surface Transfer of Pathogens (STOP) - M37 meeting CY - Turin, Italy DA - 11.09.2025 KW - Grazing incidence KW - GISAXS KW - Applications PY - 2025 AN - OPUS4-64115 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hussein, S. A1 - Kühl, A. A. A1 - Golusda, L. A1 - Plattner, C. A1 - Heinze, N. A1 - Sturm, G. A1 - Freise, C. A1 - Traub, Heike A1 - Schannor, Mathias A1 - Trajanoski, Z. A1 - Taupitz, M. A1 - Siegmund, B. A1 - Paclik, D. T1 - Phenotype and function of human monocytes remain mainly unaffected by very small superparamagnetic iron oxide particles N2 - The field of medical application of organic or inorganic nanoparticles is extensive. Medical nanoparticles offer benefits but pose risks. For safe use in diagnostics and therapy, they should be inert, non-immunogenic, non-aggregating, and avoid long-term accumulation in sensitive tissues like bone marrow or the brain. We have developed in-house very small superparamagnetic iron oxide nanoparticles (VSOP), 7 nm in size, which have been successfully used in preclinical magnetic resonance imaging (MRI) to detect intestinal inflammation, neuroinflammation and atherosclerosis. This study examines nanoparticle effects on human blood cells focusing on monocytes in vitro as a first step toward clinical application. Whole blood and monocytes from healthy donors and patients with inflammatory bowel disease were treated with VSOP in vitro and analyzed for changes in their transcriptome, phenotype and function. RNA sequencing of monocytes identified the transferrin receptor as one of the most significantly downregulated genes after VSOP treatment, likely to limit iron uptake. Whereas whole blood RNA sequencing showed significant changes only in three non-coding genes. CyTOF analysis confirmed that VSOP-treated monocytes remain inactive, with no increased proliferation or altered migration. Metabolically, VSOP uptake enhanced the oxygen consumption rate. This effect was likely due to phagocytosis rather than effects mediated by the VSOP itself, as phagocytosis of latex beads showed comparable results. In summary, the analysis of peripheral blood mononuclear cells and monocytes suggests that VSOP treatment has no major impact on immune cell phenotype or function indicating VSOP as a promising diagnostic tool in MRI for inflammatory bowel disease. KW - Imaging KW - Nanoparticle KW - Monocytes KW - Contrast agent KW - Diagnostics KW - ICP-MS KW - LA-ICP-MS KW - VSOP PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-632012 DO - https://doi.org/10.3389/fnano.2025.1584000 SN - 2673-3013 VL - 7 SP - 1 EP - 16 PB - Frontiers Media CY - Lausanne AN - OPUS4-63201 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - El-Dahshan, O. A1 - Deniaud, A. A1 - Ling, W. L. A1 - Wegner, Karl David A1 - Proux, O. A1 - Veronesi, G. A1 - Reiss, P. T1 - Hydrothermal microwave synthesis of water soluble NIR-II emitting Ag2S quantum dots N2 - Hydrothermal-based synthetic methods of quantum dots allow for the exploration of reaction parameters normally inaccessible to typical aqueous-based batch reactions, such as elevated reaction temperatures (>100 °C) and reaction pressures above atmospheric pressure. Coupled with microwave heating, new instantaneously bio-compatible quantum dots (QDs) with enhanced opitcal properties can be yielded. As of today, aqueous-based synthetic methods often lag behind their organic analogues in terms of the photophysical properties of the QDs obtained and the ease of modulation of both the emission wavelength and crystallite size. Using a novel microwave-assisted hydrothermal approach, the synthesis of silver sulphide (Ag2S) QDs exhibiting NIR emission spanning the biological transparency windows via modulation of the reaction parameters has been developed. The intrinsic link between their optical and structural properties is explored via laboratory and synchrotron-based structural analysis techniques. Their toxicity towards a hepatic cell line was assessed, and related back to their structure and size. Overall this work aims to not only further develop the repertoire of synthetic methods for the synthesis of Ag2S QDs, but also paves the way for the development of safer QDs suitable for future clinical applications. KW - Quantum dots KW - Microwave synthesis KW - Quality assurance KW - NIR-II emission KW - PL quantum yield KW - Ag2S PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-634825 DO - https://doi.org/10.1039/d5nr00052a SN - 2040-3372 VL - 17 IS - 24 SP - 14637 EP - 14646 PB - RSC AN - OPUS4-63482 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hülagü, Deniz A1 - Ermilova, Elena A1 - Weise, Matthias A1 - de Préville, Sophie A1 - Hoffmann, Johannes A1 - Morán-Meza, José A1 - Piquemal, Francois A1 - Hertwig, Andreas T1 - Characterization of electrical properties in microstructured ITO layers using spectroscopic ellipsometry N2 - Thin indium tin oxide (ITO) layers are essential in optoelectronics due to their good electrical conductivity, optical transparency in the visible and near infrared regions, substrate adherence and chemical stability. They are widely used in photovoltaic cells, displays, and organic LEDs, and as low emissivity coatings in smart windows and energy-efficient buildings. For nanophotonic devices, understanding the interplay of ITO’s optical and electrical properties is crucial. Electrical resistivity can be tuned by modifying deposition conditions and layer thickness. However, measuring these properties, especially on microstructured surfaces, remains challenging due to the issues like homogeneity and instability during etching. Spectroscopic ellipsometry (SE), a non-destructive and phase-sensitive optical technique, offers precise measurement of thin film thickness and dielectric properties. In this study, we investigated the layer thickness, optical constants, and sheet resistance of unstructured and microstructured ITO thin layers using SE. Unstructured layers were deposited via DC-magnetron sputtering on silicon (Si) substrates in argon (Ar) atmospheres with varying oxygen (O2) flows. This multi-technique approach enhances the understanding of ITO layer structuring and provides robust methodologies for correlating optical and electrical properties, advancing metrology for nanotechnology applications and material science. It also opens the pathway to new reference samples and calibration methods for electrical properties involving device-like structured samples. T2 - ICSE10 - 10th International Conference on Spectroscopic Ellipsometry CY - Boulder, CO, USA DA - 08.06.2025 KW - Ellipsometry KW - Indium tin oxide (ITO) KW - Scanning microwave microscopy (SMM) KW - Sheet resistance calibration standards KW - ITO wet etching PY - 2025 AN - OPUS4-63631 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schmitt, Johannes T1 - Data acquisition system for single particle inductively coupled plasma mass spectrometry (spICP-MS) with nanosecond time resolution N2 - This study presents our data acquisition system prototype for single particle inductively coupled plasma mass spectrometry (spICP-MS) with nanosecond time resolution (nanoDAQ) and a matching data processing approach for time-resolved data in the nanosecond range. The system continuously samples the secondary electron multiplier (SEM) detector signal with a dwell time of approximately 2 ns and enables detection of gold nanoparticles (AuNP) as small as 7.5 nm with a commercial single quadrupole ICP-MS instrument. [1] Analysis of acquired transient data is based on the temporal distance between detector events and a derived ion event density. It was shown that the inverse logarithm of the distance between detector events is proportional to particle size. Also, the number of detector events per particle can be used to calibrate and determine the particle number concentration (PNC) of a nanoparticle dispersion. Particle-by-particle-based analysis of ion event density and other parameters derived from nanosecond time resolution show promising results. High data acquisition frequency of the systems allows recording of a statistically significant number of data points in 60 s or less, which leaves only the sample uptake and rinsing steps as remaining factors for limiting the total measurement time. T2 - 20th European Winter Conference on Plasma Spectrochemistry CY - Berlin, Germany DA - 02.03.2025 KW - ICP-MS KW - Instrumentation KW - Nano KW - Nanoparticle Characterization PY - 2025 AN - OPUS4-63599 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Speight, Isaiah R. A1 - Ardila-Fierro, Karen J. A1 - Hernández, José G. A1 - Emmerling, Franziska A1 - Michalchuk, Adam A. L. A1 - García, Felipe A1 - Colacino, Evelina A1 - Mack, James T1 - Ball milling for mechanochemical reactions N2 - Mechanochemistry is an emerging field with the potential to pave the way for sustainable chemistry. Although the use of mechanical force to initiate chemical reactions has been recognized for millennia, it has often taken a backseat to thermal and photonic methods. Over the past 30 years, mechanochemistry has seen a resurgence of interest, attracting researchers across the globe. Despite its proven ability to address numerous challenges within the chemical community, mechanochemistry remains on the periphery. This Primer serves as a valuable guide for conducting mechanochemical reactions by ball milling, offering an overview of the processes, methods, tools and terminology necessary to embark on research in this field. It also highlights persistent hurdles such as equipment standardization, understanding the impact of new discoveries and the lack of predictability of reaction outcomes. The Primer’s focus is on how mechanochemical ball milling is used in various chemical transformations, distinguishing it from other forms of mechanochemistry discussed in the literature. With a promising future, this Primer serves as a gateway for those aspiring to contribute to the field’s advancement. KW - Mechanochemistry KW - Ball milling KW - Upscaling PY - 2025 DO - https://doi.org/10.1038/s43586-025-00401-2 SN - 2662-8449 VL - 5 IS - 1 SP - 1 EP - 18 PB - Springer Science and Business Media LLC AN - OPUS4-63447 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Rosenbusch, Ivo A1 - Arai, Marylyn Setsuko A1 - Rizzo, Fabio A1 - de Camargo, Andrea S. S. A1 - Ravoo, Bart Jan T1 - A host–guest approach to ratiometric pH sensing using upconversion nanoparticles N2 - A new pH nanosensor based on β-NaYF4:Yb3+/Tm3+ upconversion nanoparticles functionalized with cyclodextrin and a pH-sensitive adamantane-modified nitrobenzoxadiazole dye (NBD-Ad). KW - Host-guest materials KW - Upconversion nanoparticles KW - Ratiometric optical sensors KW - pH sensing PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-637722 DO - https://doi.org/10.1039/d5na00145e SN - 2516-0230 VL - 7 IS - 13 SP - 4142 EP - 4151 PB - Royal Society of Chemistry (RSC) AN - OPUS4-63772 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Go, Eun Sul A1 - Hong, Eun Ji A1 - Lee, Ji Yeong A1 - Stolar, Tomislav A1 - Peterson, Gregory I. A1 - Emmerling, Franziska L. A1 - Kim, Kyoungsoo A1 - Kim, Jeung Gon T1 - Insights into Mechanochemical Solid-State Ball-Milling Reaction: Monitoring Transition from Heterogeneous to Homogeneous Conditions N2 - As mechanochemical synthesis has advanced significantly, there has been intense interest in understanding the underlying mechanisms of these reactions. Given that many mechanochemical processes are conducted in the solid-state without solvation yet sometimes yield faster reactions than those in solution, we sought to address the following question: Are mechanochemical reactions homo- or heterogeneous? To investigate, we employed a model system involving the mixing and copolymerization of l-lactide (LLA) and d-lactide (DLA), monitored through powder X-ray diffraction (PXRD), nuclear magnetic resonance, and differential scanning calorimetry. In situ and ex situ PXRD analyses of the mixture of LLA and DLA showed that vibratory ball milling rapidly transformed the initially heterogeneous lactide mixture into a homogeneous phase within one min due to collisions between the balls and the jar. By varying the milling conditions, we were able to regulate the level of mixing, which subsequently influenced the copolymerization outcomes. In the solid-state ball-milling copolymerization of LLA and DLA in the presence of a catalyst and initiator, multiblock copolymers of poly(l-lactic acid) and poly(d-lactic acid) were formed within one min during the early stage of the reaction, when incomplete mixing of the monomers led to a process governed by phase heterogeneity. In contrast, prolonged polymerization promoted conditions approaching homogeneity, ultimately yielding atactic poly(lactic acid). This transition from heterogeneous to homogeneous reactions is a distinctive feature compared to conventional homogeneous reactions, potentially leading to mechano-exclusive reaction designs. KW - Mechanochemistry KW - Ball-milling KW - Homogeneous reaction KW - Heterogeneous reaction PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-638008 DO - https://doi.org/10.1021/jacsau.5c00322 SN - 2691-3704 VL - 5 IS - 6 SP - 2720 EP - 2727 PB - American Chemical Society (ACS) AN - OPUS4-63800 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Deffo, Gullit A1 - Tamo, Arnaud Kamdem A1 - Fotsop, Cyrille Ghislain A1 - Tchoumi, Honorine Hortense Bougna A1 - Talla, Donald Eric Njiajo A1 - Wabo, Calice Gildas A1 - Deussi, Marcel Cédric Ngaha A1 - Temgoua, Ranil Clément Tonleu A1 - Doungmo, Giscard A1 - Njanja, Evangeline A1 - Tonle, Ignas Kenfack A1 - Puzari, Panchanan A1 - Birkemeyer, Claudia A1 - Ngameni, Emmanuel T1 - Metal-organic framework-based materials: From synthesis and characterization routes to electrochemical sensing applications N2 - Metal-organic frameworks (MOFs) are formed by coordination bonds between organic ligands and metal ions or clusters. Their key properties, including high surface area, porosity, and adjustable functionalities, enable diverse applications in gas separation, catalysis, energy storage, luminescence, and more recently, the development of electrochemical sensors. In this review, we provide an overview of various electrochemical methods and discuss different MOF-based electrochemical sensors reported in the literature. We focus on the synthesis of MOFs, their characterization, and the preparation of MOF-based working electrodes for electroanalysis. A brief history of MOFs, along with their nomenclature, classifications, and features, is discussed to provide a chronological understanding of MOFs before delving into their electroanalytical uses. Recent advancements in the use of MOFs as electrode materials for electrochemical sensing have been extensively reviewed and documented, highlighting their increasing relevance in various analytical fields. This review investigates the key properties of MOFs that make them suitable candidates for sensing applications and the ability for post-synthesis modifications to improve their selectivity and sensitivity. It also examines the challenges associated with the synthesis and modification of MOFs, including issues related to scalability, eproducibility, and the stability of the materials under operational conditions. Furthermore, the review discusses potential future directions for the use of MOFs in electrochemical sensing, emphasizing their role as electrode materials to enhance the sensitivity and selectivity of modified sensors for sustainable applications. KW - Metal-organic frameworks (MOFs) KW - MOF synthesis and characterization KW - Electrochemical sensors KW - Electroanalysis PY - 2025 DO - https://doi.org/10.1016/j.ccr.2025.216680 SN - 0010-8545 VL - 536 SP - 1 EP - 78 PB - Elsevier B.V. AN - OPUS4-63742 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ruehle, Bastian T1 - Workflow generation, management, and semantic description for Self-Driving Labs N2 - The software backend that controls the robotic hardware and runs the synthesis workflows is a very important component of any Self-Driving Lab (SDL). On the one hand, it has to deal with orchestrating and managing complex and task-specific hardware through low-level communication protocols and plan and use the available resources as efficiently as possible while executing (parallelized) workflows, on the other hand, it is the interface the users use to communicate with this highly complex platform, and as such, it needs to be as helpful and user-friendly as possible. This includes the AI-aided experimental design in which the system helps the user to decide which experiment to run next, providing automated data analysis from characterization measurements, and offering easy to understand tools and graphical user interfaces for generating the workflows that are executed on the platform. Lastly, the specificity of the workflows and their dependence on the hardware and software of the SDLs necessitates a common description or ontology for making them easily interchangeable and interoperable between different platforms and labs. In this contribution, we present several key aspects of “Minerva-OS”, the central backend that orchestrates the syntheses workflows of our SDL for Nano- and Advanced Materials Syntheses [1]. One key feature is the resource management or “traffic control” for scheduling and executing parallel reactions in a multi-threaded environment. Another is the interface with data analysis algorithms from in-line, at-line, and off-line measurements. Here, we will give examples of how automatic image segmentation of electron microscopy images with the help of AI [2] can be used for reducing the “data analysis bottleneck” from an off-line measurement. We will also discuss, compare, and show benchmarks of various machine learning (ML) algorithms that are currently implemented in the backend and can be used for ML-guided, closed-loop material optimization in our SDL. Lastly, we will show our recent efforts [3] in making the workflow generation on SDLs more user-friendly by using large language models to generate executable workflows automatically from synthesis procedures given in natural language and user-friendly graphical user interfaces based on node editors that also allow for knowledge graph extraction from the workflows. In this context, we are currently also working on an ontology for representing the process steps of the workflows, which will greatly facilitate the semantic description and interoperability of workflows between different SDL hardware and software platforms. T2 - Accelerate 2025 CY - Toronto, Canada DA - 11.08.2025 KW - Nanomaterials KW - Advanced Materials KW - Workflows KW - Machine Learning KW - SDL PY - 2025 AN - OPUS4-63936 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ruehle, Bastian T1 - Nano- and Advanced Materials Synthesis in a Self-Driving Lab (SDL) N2 - Nano- and advanced materials have been recognized as a key enabling technology of the 21st century, due to their high potential of driving innovations in new clean energy technologies, sustainable manufacturing by substitution of critical raw materials and replacement of hazardous substances, breakthroughs in energy conversion and storage, improvement of the environmental performance of products and processes, and facilitation of circularity. Consequently, improving tools that enhance the development and optimization cycle of nano- and advanced materials is crucial. In this contribution, we present our Self-Driving Lab (SDL) for Nano and Advanced Materials [1], that integrates robotics for batched autonomous synthesis – from molecular precursors to fully purified nanomaterials – with automated characterization and data analysis, for a complete and reliable nanomaterial synthesis workflow. By fully automating these three process steps for seven different materials from five representative, completely different classes of nano- and advanced materials (metal, metal oxide, silica, metal organic framework, and core–shell particles) that follow different reaction mechanisms, we demonstrate the great versatility and flexibility of the platform. The system also exhibits high modularity and adaptability in terms of reaction scales and incorporates in-line characterization measurement of hydrodynamic diameter, zeta potential, and optical properties (absorbance, fluorescence) of the nanomaterials. We discuss the excellent reproducibility of the various materials synthesized on the platform in terms of particle size and size distribution, and the adaptability and modularity that allows access to a diverse set of nanomaterial classes. These features underscore the SDL’s potential as a transformative tool for advancing and accelerating the development of nano- and advanced materials, offering solutions for a sustainable and environmentally responsible future. T2 - Accelerate 2025 CY - Toronto, Canada DA - 11.08.2025 KW - Nanomaterials KW - Advanced Materials KW - Automation KW - SDL KW - MAP PY - 2025 AN - OPUS4-63935 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Huber, Norbert T1 - Testing and analysis of materials and components ‒ an expedition from lab to field in a digitally transforming world N2 - In an era where digital transformation is reshaping every facet of our lives, the field of material science and engineering is no exception. This presentation delves into the exciting journey of material and component testing, tracing its path from the confines of the laboratory to the vast expanse of real-world applications, with a particular focus on enhancing safety and reliability. We will explore how modern techniques are pushing the boundaries of conventional material testing, revealing new dimensions of material behavior and performance that are crucial for ensuring safety. The integration of in situ quality control within production processes is revolutionizing manufacturing, ensuring unparalleled precision and reliability, which are essential for maintaining high safety standards. As we venture into the realm of Structural Health Monitoring (SHM), discover how cutting-edge technologies are being deployed in field applications, from infrastructure to renewable energy sectors, to monitor and ensure the safety and integrity of critical systems. The presentation will also offer a glimpse into the future, where centralized systems for research data management and innovative digital initiatives promise to transform the landscape of material testing and analysis, further bolstering safety measures. Join us to uncover how these advancements are not only enhancing safety and reliability but also paving the way for a digitally interconnected world. T2 - MaterialsWeek 2025 CY - Frankfurt am Main, Germany DA - 02.04.2025 KW - Characterization KW - Materials testing KW - In situ quality control KW - Digitalization PY - 2025 AN - OPUS4-63918 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lemiasheuski, Anton A1 - Wehrkamp, F. A1 - Bajer, Evgenia A1 - Sonnenburg, Elke A1 - Göbel, Artur A1 - Porohovoj, Ilja A1 - Bettge, Dirk A1 - Pfennig, Anja T1 - Practical application of an automated 3D metallography system for the reconstruction and microstructural analysis of porosity in a sintered steel N2 - In the 3D microstructural analysis of a digital twin of porosity in the sintered steel Astaloy CrA, pore shape, average pore size as well as pore distribution will be analyzed. Porosity plays a major role in powder-metallurgical materials since it greatly impacts the mechanical properties of these materials and therefore represents a key parameter in their characterization. Based on the robot-assisted automated serial sectioning and imaging (RASI) system of the Federal Institute for Materials Research and Testing (BAM, Bundesanstalt für Materialforschung und Prüfung) in Berlin, the technique of metallographic serial sectioning will be used to image the microstructure and reconstruct a digital 3D twin from the stack of images obtained. Compared with an individual 2D microsection, the quantitative microstructural analysis of this 3D twin will enable more accurate conclusions on the shape, size and distribution of pores. This paper will detail the key steps in 3D microstructural analysis, including the metallographic preparation routine, the imaging technique, image alignment as well as the segmentation of pores. After the methodology has been described, the results of the quantitative microstructural analysis will be presented and the validity of quantitative parameters of 3D and 2D images will be compared and discussed. The analysis of more than 10,000 pores revealed a correlation between pore shape and pore size. It was also found that a 2D representation of the material surface is insufficient for a precise quantitative characterization of porosity. N2 - In der 3D-Gefügeanalyse eines digitalen Zwillings von Poren in einem Sinterstahl des Typs Astaloy CrA werden sowohl die Porenform als auch die durchschnittliche Porengröße und -verteilung analysiert. Die Porosität spielt in pulvermetallurgischen Werkstoffen eine große Rolle, da sie erheblich die mechanischen Eigenschaften beeinflusst und daher bei der Charakterisierung dieser Werkstoffe ein wichtiger Parameter ist. Basierend auf der Verwendung des Robot-Assisted Automated Serial-Sectioning and Imaging (RASI)-Systems der Bundesanstalt für Materialforschung und Prüfung (BAM) in Berlin, wird das metallographische Serienschnittverfahren genutzt, um das Gefüge aufzunehmen und aus dem Bildstapel einen digitalen 3D-Zwilling zu rekonstruieren. Verglichen zu einem 2D-Einzelschliff ermöglicht die quantitative Gefügeanalyse dieses 3D-Zwillings präzisere Aussagen zu Porenform, -größe und -verteilung. Diese Arbeit beschreibt die wesentlichen Schritte, die für eine 3D-Gefügeanalyse nötig sind, darunter die metallografische Präparationsroutine, das Bildgebungs-Verfahren, das Alignment der Bilder sowie die Segmentierung der Poren. Im Anschluss an die methodische Darstellung werden die Ergebnisse der quantitativen Gefügeanalyse präsentiert und ein Vergleich zwischen der Aussagekraft der quantitativen Parameter von 3D- und 2D-Abbildungen diskutiert. Bei der Analyse von über 10.000 Poren konnte eine Korrelation zwischen der Form und der Porengröße aufgezeigt werden. Weiterhin konnte aufgezeigt werden, dass eine 2D-Abbildung der Werkstoffoberfläche nicht ausreichend für eine eindeutige quantitative Beschreibung der Porosität ist. KW - 3D Metallographie KW - RASI KW - Porenstruktur PY - 2025 DO - https://doi.org/10.1515/pm-2025-0049 SN - 2195-8599 VL - 62 IS - 8 SP - 516 EP - 535 PB - De Gruyter Brill AN - OPUS4-63930 LA - mul AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ruehle, Bastian T1 - Nano- and Advanced Materials Synthesis in a Self-Driving Lab (SDL) N2 - Nano- and advanced materials have been recognized as a key enabling technology of the 21st century, due to their high potential of driving innovations in new clean energy technologies, sustainable manufacturing by substitution of critical raw materials and replacement of hazardous substances, breakthroughs in energy conversion and storage, improvement of the environmental performance of products and processes, and facilitation of circularity. Consequently, improving tools that enhance the development and optimization cycle of nano- and advanced materials is crucial. In this contribution, we present our Self-Driving Lab (SDL) for Nano and Advanced Materials [1], that integrates robotics for batched autonomous synthesis – from molecular precursors to fully purified nanomaterials – with automated characterization and data analysis, for a complete and reliable nanomaterial synthesis workflow. By fully automating these three process steps for seven different materials from five representative, completely different classes of nano- and advanced materials (metal, metal oxide, silica, metal organic framework, and core–shell particles) that follow different reaction mechanisms, we demonstrate the great versatility and flexibility of the platform. The system also exhibits high modularity and adaptability in terms of reaction scales and incorporates in-line characterization measurement of hydrodynamic diameter, zeta potential, and optical properties (absorbance, fluorescence) of the nanomaterials. We discuss the excellent reproducibility of the various materials synthesized on the platform in terms of particle size and size distribution, and the adaptability and modularity that allows access to a diverse set of nanomaterial classes. These features underscore the SDL’s potential as a transformative tool for advancing and accelerating the development of nano- and advanced materials, offering solutions for a sustainable and environmentally responsible future. T2 - Accelerate 2025 CY - Toronto, Canada DA - 11.08.2025 KW - Nanomaterials KW - Advanced Materials KW - Automation KW - SDL KW - MAP PY - 2025 AN - OPUS4-63934 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Walter, Keven A1 - Hoch, Dominik P. A1 - Hertweck, Leon A1 - Balasubramanian, Kannan A1 - Geisler, Jonas A1 - Röllig, Mathias A1 - Neubert, Tilmann J. A1 - Börner, Hans G. T1 - Unlocking the Essence of Lignin: High‐Performance Adhesives That Bond via Thiol‐Catechol Connectivities and Debond on Electrochemical Command N2 - AbstractThe next generation of adhesives requires effective debonding capabilities that can be triggered on demand to enable advanced circular repair and recycling strategies. A new class of lignin‐inspired, two‐component (2K) structural adhesives offers bonding strengths of up to 20 MPa and clean, on‐command electrochemical debonding within 5–30 min. The debonding is induced by a distinct electrochemical oxidation of thiol‐catechol connectivities (TCCs) within the entire adhesive network, enforcing rapid and clean adhesive failure on the cathodic substrate side. The TCC‐functionalities are formed during curing by a thiol‐quinone Michael‐type polyaddition, reacting polyester‐based trithiols with tris‐quinones as lignin‐inspired minimal building blocks. The structural adhesive can be fine‐tuned by adjusting the formulation. The addition of carbon black and ionic liquids facilitates the desired electrochemical transformation of TCC‐catechols to TCC‐quinones. Applying only 9 V for 5–30 min, leads to clean debonding with 72–86% loss of shear strength. A comprehensive study of curing, bonding, and debonding behavior by rheological, spectroscopic, and electrochemical investigations reveals the debonding mechanism by correlating catechol oxidation to adhesive performance. The electrochemical debonding capability of TCC‐structural adhesives is demonstrated in a functional prototype, where on‐command detachment of a cover glass from a display device is achieved within 6.5 min. KW - Lignin-inspired KW - Electrochemical-Debonding KW - Thiol-Catechol-Connectivity (TCC) KW - Michael-Type Polyaddition KW - On-Demand Adhesive Failure PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-639674 DO - https://doi.org/10.1002/adma.202510463 SN - 0935-9648 SP - 1 EP - 10 PB - Wiley VHC-Verlag CY - 69451 Weinheim AN - OPUS4-63967 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Yildirim, Arda A1 - Haug, T. C. V. A1 - Fröba, M. A1 - Huber, P. A1 - Schönhals, Andreas T1 - Molecular fluctuations in mixed-metal MOF-74: influence of the metal composition N2 - A selected series of metal–organic frameworks M-MOF-74 (M = Mg, Co, Ni) and mixed metal MM-MOF-74 (Mg/Co or Mg/Ni) with different compositions of metal atoms have been prepared and further investigated by broadband dielectric spectroscopy (BDS) in a wide temperature range. The dielectric spectra show at least two relaxation processes. Process-A is observed only for the Ni-containing MOFs and is attributed to localized fluctuations of the metal oxide corners. Relaxation processes-B and -C are observed for all prepared MOFs, except that process-B is not observed for Ni-MOF-74. Large-angle fluctuations such as free rotations of the linkers can be excluded due to the structure of MOF-74, but small-angle fluctuations such as torsions are possible. According to numerical simulations carried out for MOF-74, process-B can be attributed to inward and outward fluctuations of the linkers relative to the pore center. Process-C is related to small-angle rotational fluctuations of the linker together with co-rotations of the metal nodes. The latter interpretation is supported by the dependence of the activation energy of the relaxation rate of process-C on the metal composition of the MOFs, which is discussed in terms of the bond lengths between the metal atoms and the linker which decrease in the sequence Mg, Co and Ni. KW - Metal Organic Frameworks PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-639378 DO - https://doi.org/10.1039/d5ra05357a SN - 2046-2069 VL - 15 IS - 35 SP - 29109 EP - 29118 PB - Royal Society of Chemistry (RSC) AN - OPUS4-63937 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kolmangadi, Mohamed A. A1 - Raab, A. R. A1 - Szymoniak, Paulina A1 - Li, Z. A1 - Huber, P. A1 - Laschat, S. A1 - Schönhals, Andreas T1 - Molecular mobility and electrical conductivity of amino acid-based (DOPA) ionic liquid crystals in the bulk state and nanoconfinement N2 - This study explores the molecular mobility, phase behavior, and electrical conductivity of dihydroxyphenylalanine-based ionic liquid crystals (DOPAn, with alkyl side chains n = 12, 14, 16) featuring cyclic guanidiniumchloride headgroups, in both bulk and nanoconfined states. Using broadband dielectric spectroscopy, differential scanning calorimetry, and fast scanning calorimetry, the research uncovers a complex interplay between molecular structure, self-assembly, and molecular mobility. In bulk, DOPAn shows a phase sequence from plastic crystalline to hexagonal columnar and isotropic phases, driven by superdisc formation and columnar organization. Multiple relaxation processes are identified: localized side-chain dynamics (γ-relaxation), ionic headgroup or core motions (α1-relaxation), and cooperative alkyl domain fluctuations (α2-relaxation). Conductivity decreases with increasing side chain length. Under nanoconfinement in anodic aluminum oxide membranes, phase behavior changes: the Colh–Iso transition is suppressed, and a new α3-relaxation appears, linked to dynamics in an adsorbed interfacial layer. DC conductivity drops by up to four orders of magnitude due to confinement effects, altered molecular orientation, and phase transitions—especially the emergence of a nematic-like state in DOPA16. These findings highlight the importance of molecular design, pore geometry, and surface chemistry in tuning ionic liquid crystal properties for advanced applications in nanofluidics, ion transport, and responsive materials. KW - Ionic Liquid Crystals PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-639657 DO - https://doi.org/10.1039/d5cp02406d SN - 1463-9084 SP - 1 EP - 17 PB - Royal Society of Chemistry (RSC) AN - OPUS4-63965 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -