TY - JOUR A1 - Bachmann, H. J. A1 - Bucheli, T. D. A1 - Dieguez-Alonso, A. A1 - Fabbri, D. A1 - Knicker, H. A1 - Schmidt, H.-P. A1 - Ulbricht, A. A1 - Becker, Roland A1 - Buscaroli, A. A1 - Buerge, D. A1 - Cross, A. A1 - Dickinson, D. A1 - Enders, A. A1 - Esteves, V.I. A1 - Evangelou, M. W. H. A1 - Fellet, G. A1 - Friedrich, K. A1 - Gasco Guerrero, G. A1 - Glaser, B. A1 - Hanke, U. M. A1 - Hanley, K. A1 - Hilber, I. A1 - Kalderis, D. A1 - Leifeld, J. A1 - Masek, O. A1 - Mumme, J. A1 - Paneque Carmona, M. A1 - Calvelo Pereira, R. A1 - Rees, F. A1 - Rombola, A. G. A1 - de la Rosa, J. M. A1 - Sakrabani, R. A1 - Sohi, S. A1 - Soja, G. A1 - Valagussa, M. A1 - Verheijen, F. A1 - Zehetner, F. T1 - Towards the standardization of biochar analysis: the COST action TD1107 interlaboratory comparison N2 - Biochar produced by pyrolysis of organic residues is increasingly used for soil amendment and many other applications. However, analytical methods for its physical and chemical characterization are yet far from being specifically adapted, optimized, and standardized. Therefore, COST Action TD1107 conducted an interlaboratory comparison in which 22 laboratories from 12 countries analyzed three different types of biochar for 38 physical–chemical parameters (macro- and microelements, heavy metals, polycyclic aromatic hydrocarbons, pH, electrical conductivity, and specific surface area) with their preferential methods. The data were evaluated in detail using professional interlaboratory testing software. Whereas intralaboratory repeatability was generally good or at least acceptable, interlaboratory reproducibility was mostly not (20% < mean reproducibility standard deviation < 460%). This paper contributes to better comparability of biochar data published already and provides recommendations to improve and harmonize specific methods for biochar analysis in the future. KW - Biochar KW - Analysis KW - Standardization KW - Ring test KW - Interlaboratory comparison PY - 2016 DO - https://doi.org/10.1021/acs.jafc.5b05055 SN - 0021-8561 SN - 1520-5118 VL - 64 IS - 2 SP - 513 EP - 527 PB - American Chemical Society CY - Columbus, Ohio AN - OPUS4-35289 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - RPRT A1 - Göbel, E. O. A1 - Hasche, K. A1 - Ulm, G. A1 - Krumrey, M. A1 - Ade, G. A1 - Stümpel, J. A1 - Herrmann, K. A1 - Koenders, L. A1 - Thomsen-Schmidt, P. A1 - Pohlenz, F. A1 - Xu, M. A1 - Dai, G. A1 - Hoffmann, K.-P. A1 - Busch, I. A1 - Frank, W. A1 - Procop, M. A1 - Beck, Uwe T1 - Kalibrierte Schichtdicken-Maßverkörperungen für Nanometerschichten, Teilvorhaben - Kalibrierung von Schichtdicken-Maßverkörperungen im Nanometerbereich - Abschlussbericht des BMBF Verbundvorhabens 13N7704 - 13N77041 KW - Schichtdicke KW - Nanometerbereich PY - 2003 UR - http://edok01.tib.uni-hannover.de/edoks/e01fb02/373214030.pdf SP - 1 EP - 131 PB - Physikalisch-Technische Bundesanstalt CY - Dresden AN - OPUS4-25428 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Debatin, F. A1 - Behrens, K. A1 - Weber, J. A1 - Baburin, I. A. A1 - Thomas, A. A1 - Schmidt, J. A1 - Senkovska, I. A1 - Kaskel, S. A1 - Kelling, A. A1 - Hedin, N. A1 - Bacsik, Z. A1 - Leoni, S. A1 - Seifert, G. A1 - Jäger, Christian A1 - Günter, C. A1 - Schilde, U. A1 - Friedrich, A. A1 - Holdt, H.-J. T1 - An isoreticular family of microporous metal-organic frameworks based on zinc and 2-substituted imidazolate-4-amide-5-imidate: syntheses, structures and properties N2 - We report on a new series of isoreticular frameworks based on zinc and 2-substituted imidazolate-4-amide-5-imidate (IFP-1–4, IFP=imidazolate framework Potsdam) that form one-dimensional, microporous hexagonal channels. Varying R in the 2-substitued linker (R=Me (IFP-1), Cl (IFP-2), Br (IFP-3), Et (IFP-4)) allowed the channel diameter (4.0–1.7 Å), the polarisability and functionality of the channel walls to be tuned. Frameworks IFP-2, IFP-3 and IFP-4 are isostructural to previously reported IFP-1. The structures of IFP-2 and IFP-3 were solved by X-ray crystallographic analyses. The structure of IFP-4 was determined by a combination of PXRD and structure modelling and was confirmed by IR spectroscopy and 1H MAS and 13C CP-MAS NMR spectroscopy. All IFPs showed high thermal stability (345–400°C); IFP-1 and IFP-4 were stable in boiling water for 7 d. A detailed porosity analysis was performed on the basis of adsorption measurements by using various gases. The potential of the materials to undergo specific interactions with CO2 was investigated by measuring the isosteric heats of adsorption. The capacity to adsorb CH4 (at 298 K), CO2 (at 298 K) and H2 (at 77 K) at high pressure were also investigated. In situ IR spectroscopy showed that CO2 is physisorbed on IFP-1–4 under dry conditions and that both CO2 and H2O are physisorbed on IFP-1 under moist conditions. KW - Adsorption KW - Metal-organic frameworks KW - Microporous materials KW - N,O ligands KW - Zinc PY - 2012 DO - https://doi.org/10.1002/chem.201200889 SN - 0947-6539 SN - 1521-3765 VL - 18 IS - 37 SP - 11630 EP - 11640 PB - Wiley-VCH Verl. CY - Weinheim AN - OPUS4-27725 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Hasche, K. A1 - Ulm, G. A1 - Herrmann, K. A1 - Krumrey, M. A1 - Ade, G. A1 - Sümpel, J. A1 - Busch, I. A1 - Thomsen-Schmidt, P. A1 - Schädlich, S. A1 - Schindler, A. A1 - Frank, W. A1 - Procop, Mathias A1 - Beck, Uwe T1 - About the calibration of thickness standards on the nanometer scale T2 - 3rd International EUSPEN conference ; 3rd International conference. European Society for Precision Engineering and Nanotechnology ; 4th General meeting. European Society for Precision Engineering and Nanotechnology CY - Eindhoven, The Netherlands DA - 2002-05-26 PY - 2002 SN - 90-386-2883-8 SP - 1 EP - 5 CY - Eindhoven AN - OPUS4-2283 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hasche, K. A1 - Herrmann, K. A1 - Thomsen-Schmidt, P. A1 - Krumrey, M. A1 - Ulm, G. A1 - Ade, G. A1 - Pohlenz, F. A1 - Stümpel, J. A1 - Busch, I. A1 - Schädlich, S. A1 - Frank, W. A1 - Hirsch, D. A1 - Schindler, A. A1 - Procop, Mathias A1 - Beck, Uwe T1 - Ein Beitrag zu kalibrierten Nanometerschichten für unterschiedliche Anwendungsbereiche N2 - Nanotechnologien werden gegenwärtig als leistungsfähige Oberflächentechniken in erheblichem Umfange industriell genutzt. Dabei spielen dünne Schichten und deren Kenndaten eine wesentliche Rolle, z.B. als Röntgenspiegel oder optische und magnetooptische Datenträger. Die Schichtdicke zählt hierbei zu den technologisch wichtigen Parametern. Abgeleitet von Anwenderinteressen, werden für die Röntgenreflektometrie (XRR bzw. GIXR), Elektronenstrahl-Mikroanalyse (EPMA) und Röntgenfluoreszenzanalyse (XRF) einerseits und die Ellipsometrie andererseits zugeschnittene Schichtdickenmaßverkörperungen (SDM) entwickelt, gefertigt und untersucht. Das Ziel ist die Bereitstellung praxistauglicher, kalibrierter SDM, im weiteren Schichtdickennormale (SDN) genannt. SDN sind Maßverkörperungen, für die der Schichtdickenwert mit einer definierten Messunsicherheit bekannt und auf ein metrologisch anerkanntes Längennormal zurückgeführt ist. Berichtet wird über die Herstellung und messtechnische Charakterisierung der beiden spezifischen Varianten von Maßverkörperungen. T2 - 47. Internationales Wissenschaftliches Kolloquium. Technische Universität Ilmenau ; Herbstkonferenz der Gesellschaft für Arbeitswissenschaft ; 6. Workshop Multimedia für Bildung und Wirtschaft CY - Ilmenau, Deutschland DA - 2002-09-23 PY - 2002 UR - http://publica.fraunhofer.de/documents/N-14872.html VL - 47 SP - 568 EP - 569 PB - Techn. Univ. CY - Ilmenau AN - OPUS4-2284 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Thomsen-Schmidt, P. A1 - Hasche, K. A1 - Ulm, G. A1 - Herrmann, K. A1 - Krumrey, M. A1 - Ade, G. A1 - Stümpel, J. A1 - Procop, Mathias A1 - Beck, Uwe T1 - Realisation and metrological characterisation of thickness standards below 100 nm T2 - DVG Jahrestagung 2002 CY - Magdeburg, Germany DA - 2002-06-17 PY - 2002 SP - 1 EP - 9 PB - Deutsche Vakuum-Gesellschaft CY - Kaiserslautern AN - OPUS4-1936 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Thomsen-Schmidt, P. A1 - Hasche, K. A1 - Ulm, G. A1 - Herrmann, K. A1 - Krumrey, M. A1 - Ade, G. A1 - Stümpel, J. A1 - Busch, I. A1 - Schädlich, S. A1 - Schindler, A. A1 - Frank, W. A1 - Hirsch, D. A1 - Procop, Mathias A1 - Beck, Uwe T1 - Realisation and metrological characterisation of thickness standards below 100 nm N2 - High-accuracy film thickness measurements in the range below 100 nm can be made by various complex methods like spectral ellipsometry (SE), scanning force microscopy (SFM), grazing incidence X-ray reflectometry (GIXR), or X-ray fluorescence analysis (XRF). The measurement results achieved with these methods are based on different interactions between the film and the probe. A key question in nanotechnology is how to achieve consistent results on a level of uncertainty below one nanometre with different techniques. Two different types of thickness standards are realised. Metal film standards for X-ray techniques in the thickness range 10 to 50 nm are calibrated by GIXR with monochromatised synchrotron radiation of 8048 eV. The results obtained at four different facilities show excellent agreement. SiO2 on Si standards for SE and SFM in the thickness range 6 to 1000 nm are calibrated by GIXR with monochromatised synchrotron radiation of 1841 eV and with a metrological SFM. Consistent results within the combined uncertainties are obtained with the two methods. Surfaces and interfaces of both types of standards are additionally investigated by transmission electron microscopy (TEM). PY - 2004 DO - https://doi.org/10.1007/s00339-003-2273-7 SN - 0947-8396 VL - 78 IS - 5 SP - 645 EP - 649 PB - Springer CY - Berlin AN - OPUS4-17195 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schwirn, K. A1 - Völker, D. A1 - Ahtianinen, J. A1 - Schmidt, Alexandra A1 - Bresch, Harald A1 - Kämpf, K. A1 - Bachmann, V. A1 - Kuhlbusch, T. ED - Bosse, H. ED - Buhr, E. ED - Dziomba, T. ED - Hodoroaba, Vasile-Dan ED - Klein, T. ED - Krumrey, M. T1 - OECD Test Guidelines development for chemicals safety assessment of nanomaterials N2 - The OECD test guidelines (TGs) for testing chemicals have been widely used for regulatory purposes all over the world since the establishment of the Mutual Acceptance of Data (MAD) principle in 1984. This MAD principle ensures that, if a chemical is tested under the Good Laboratory Practice (GLP) conditions accordingly to an OECD TG, the data should be accepted in all OECD countries. The TGs have been developed, harmonized, internationally validated (round robin tests) and adopted by OECD countries to be used for the physical-chemical characterisation, fate estimation, and hazard identification for risk assessment of various chemicals. In addition to the TGs, OECD Guidance Documents (GDs) usually provide guidance on how to use TGs and how to interpret the results. These GDs do not have to be fully experimentally validated, and hence they are not under MAD, but they are based on relevant published scientific research. But are the existing TGs and the related GDs applicable and adequate for the regulatory testing of nanomaterials? In general, for nanomaterials it is accepted that most of the "endpoints" or more precisely measurement variables are applicable. However, for some endpoints new or amended TGs are needed. In addition, several GDs are needed to give more precise advice on the test performance in order to gain regulatory relevant data on nanomaterials. T2 - NanoWorkshop 2018: Workshop on Reference Nanomaterials CY - Berlin, Germany DA - 14.05.2018 KW - OECD KW - Nano KW - Guideline KW - Nanomaterials KW - Prüfrichtlinie PY - 2019 SN - 978-3-95606-440-1 DO - https://doi.org/10.7795/110.20190412 SN - 0179-0609 VL - F-61 SP - 279 EP - 279 PB - Physikalisch-Technische Bundesanstalt CY - Braunschweig und Berlin AN - OPUS4-49515 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Jablonka, Kevin Maik A1 - Ai, Qianxiang A1 - Al-Feghali, Alexander A1 - Badhwar, Shruti A1 - Bocarsly, Joshua D. A1 - Bran, Andres M. A1 - Bringuier, Stefan A1 - Brinson, L. Catherine A1 - Choudhary, Kamal A1 - Circi, Defne A1 - Cox, Sam A1 - de Jong, Wibe A. A1 - Evans, Matthew L. A1 - Gastellu, Nicolas A1 - Genzling, Jerome A1 - Gil, María Victoria A1 - Gupta, Ankur K. A1 - Hong, Zhi A1 - Imran, Alishba A1 - Kruschwitz, Sabine A1 - Labarre, Anne A1 - Lála, Jakub A1 - Liu, Tao A1 - Ma, Steven A1 - Majumdar, Sauradeep A1 - Merz, Garrett W. A1 - Moitessier, Nicolas A1 - Moubarak, Elias A1 - Mouriño, Beatriz A1 - Pelkie, Brenden A1 - Pieler, Michael A1 - Ramos, Mayk Caldas A1 - Ranković, Bojana A1 - Rodriques, Samuel G. A1 - Sanders, Jacob N. A1 - Schwaller, Philippe A1 - Schwarting, Marcus A1 - Shi, Jiale A1 - Smit, Berend A1 - Smith, Ben E. A1 - Van Herck, Joren A1 - Völker, Christoph A1 - Ward, Logan A1 - Warren, Sean A1 - Weiser, Benjamin A1 - Zhang, Sylvester A1 - Zhang, Xiaoqi A1 - Zia, Ghezal Ahmad A1 - Scourtas, Aristana A1 - Schmidt, K. J. A1 - Foster, Ian A1 - White, Andrew D. A1 - Blaiszik, Ben T1 - 14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon N2 - Large-language models (LLMs) such as GPT-4 caught the interest of many scientists. Recent studies suggested that these models could be useful in chemistry and materials science. To explore these possibilities, we organized a hackathon. This article chronicles the projects built as part of this hackathon. Participants employed LLMs for various applications, including predicting properties of molecules and materials, designing novel interfaces for tools, extracting knowledge from unstructured data, and developing new educational applications. The diverse topics and the fact that working prototypes could be generated in less than two days highlight that LLMs will profoundly impact the future of our fields. The rich collection of ideas and projects also indicates that the applications of LLMs are not limited to materials science and chemistry but offer potential benefits to a wide range of scientific disciplines. KW - Large Language model KW - Hackathon KW - Concrete KW - Prediction KW - Inverse Design KW - Orchestration PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-589961 DO - https://doi.org/10.1039/d3dd00113j VL - 2 IS - 5 SP - 1233 EP - 1250 PB - Royal Society of Chemistry (RSC) AN - OPUS4-58996 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Koenders, L. A1 - Hasche, K. A1 - Ulm, G. A1 - Krumrey, M. A1 - Ade, G. A1 - Stümpel, J. A1 - Busch, I. A1 - Thomsen-Schmidt, P. A1 - Schädlich, S. A1 - Schindler, A. A1 - Frank, W. A1 - Beck, Uwe A1 - Procop, Mathias T1 - Über die metrologische Charakterisierung von Schichtdicken Standards im Nanometerbereich T2 - 12th Applied Surface Analysis Workshop ; AOFA 12 CY - --- DA - 2002-09-15 PY - 2002 AN - OPUS4-2285 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -