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1264 Publications
2022 | Conference Abstract | LibreCat-ID: 44376
Tonbul, G., Kappler, J., Murugan, S., Schoch, R., Nowakowski, M., Lange, P., Bauer, M., & Buchmeiser, M. R. (2022). Development of Battery System Based on Na-S and Characterization Using X-ray Absorption Spectroscopy. Electrochem2022 & 63rd Corrosion Science Symposium, Edinburgh.
LibreCat
2022 | Journal Article | LibreCat-ID: 45007
Yang, Y., Cheramy, J., Brehm, M., & Xu, Y. (2022). Raman Optical Activity of N-Acetyl-L-Cysteine in Water and in Methanol: The “Clusters-in-a-Liquid” Model and ab initio Molecular Dynamics Simulations. ChemPhysChem, 23 (11), e202200161. https://doi.org/10.1002/cphc.202200161
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2022 | Journal Article | LibreCat-ID: 45010
Chahal, R., Roy, S., Brehm, M., Banerjee, S., Bryantsev, V., & Lam, S. (2022). Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF–NaF–ZrF4 Molten Salt. JACS Au, 2 (12), 2693–2702. https://doi.org/10.1021/jacsau.2c00526
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2022 | Journal Article | LibreCat-ID: 45008
Taherivardanjani, S., Blasius, J., Brehm, M., Dötzer, R., & Kirchner, B. (2022). Conformer Weighting and Differently Sized Cluster Weighting for Nicotine and its Phosphorus Derivatives. J. Phys. Chem. A, 126 (40), 7070–7083. https://doi.org/10.1021/acs.jpca.2c03133
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2022 | Journal Article | LibreCat-ID: 45009
Frömbgen, T., Blasius, J., Alizadeh, V., Chaumont, A., Brehm, M., & Kirchner, B. (2022). Cluster Analysis in Liquids: A Novel Tool in TRAVIS. J. Chem. Inf. Model., 62 (22), 5634–5644. https://doi.org/10.1021/acs.jcim.2c01244
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2022 | Journal Article | LibreCat-ID: 33834
Mathieson, A. G. M., Dose, W. M., Steinrück, H.-G., Takacs, C. J., Feldmann, S., Pandya, R., Merryweather, A. J., Mackanic, D., Rao, A., Deschler, F., & De Volder, M. (2022). A mechanistic study of the dopant-induced breakdown in halide perovskites using solid state energy storage devices. Energy & Environmental Science, 15(10), 4323–4337. https://doi.org/10.1039/d2ee01754g
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2022 | Preprint | LibreCat-ID: 32404
Kühne, T., Plessl, C., Schade, R., & Schütt, O. (2022). CP2K on the road to exascale. In arXiv:2205.14741.
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2022 | Journal Article | LibreCat-ID: 33684 | 
Schade, R., Kenter, T., Elgabarty, H., Lass, M., Schütt, O., Lazzaro, A., Pabst, H., Mohr, S., Hutter, J., Kühne, T., & Plessl, C. (2022). Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms. Parallel Computing, 111, Article 102920. https://doi.org/10.1016/j.parco.2022.102920
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2022 | Journal Article | LibreCat-ID: 46479
Bobzin, K., Kalscheuer, C., Grundmeier, G., Kollmann, S., Carlet, M., & de los Arcos de Pedro, M. T. (2022). Oxidation stability of chromium aluminum oxynitride hard coatings. Surface and Coatings Technology, 449, Article 128927. https://doi.org/10.1016/j.surfcoat.2022.128927
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2022 | Conference Paper | LibreCat-ID: 35830
Elsner, J., Tenberge, C., & Fechner, S. (n.d.). Modeling-based learning about chemical phenomena in primary education. In G. S. Carvalho, A. S. Afonso, & Z. Anastácio (Eds.), Fostering scientific citizenship in an uncertain world (Proceedings of ESERA 2021) (pp. 1241–1249). CIEC, University of Minho.
LibreCat
2022 | Conference Paper | LibreCat-ID: 33559
Elsner, J., Tenberge, C., & Fechner, S. (2022). Analogien zur Förderung schülerseitigen Modellierens im Sachunterricht. In S. Habig & H. van Vorst (Eds.), Unsicherheit als Element von naturwissenschaftsbezogenen Bildungsprozessen (Vol. 42, pp. 500–503).
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2022 | Journal Article | LibreCat-ID: 40987
Schlicher, S., Prinz, N., Bürger, J., Omlor, A., Singer, C., Zobel, M., Schoch, R., Lindner, J. K. N., Schünemann, V., Kureti, S., & Bauer, M. (2022). Quality or Quantity? How Structural Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation. Catalysts, 12(6), Article 675. https://doi.org/10.3390/catal12060675
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2022 | Journal Article | LibreCat-ID: 43021
Duderija, B., González-Orive, A., Schmidt, H. C., Calderón, J. C., Hordych, I., Maier, H. J., Homberg, W., & Grundmeier, G. (2022). Electrografting of BTSE: Zn films for advanced steel-aluminum joining by plastic deformation. Journal of Advanced Joining Processes, 7, Article 100137. https://doi.org/10.1016/j.jajp.2022.100137
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2022 | Journal Article | LibreCat-ID: 32283
Schmolke, T., Meschut, G., Rieker, F., Meinderink, D., & Grundmeier, G. (2022). Untersuchung von Klebverbindungen für Batteriegehäuse. adhäsion KLEBEN & DICHTEN , 66, 40–43. https://doi.org/10.1007/s35145-022-0596-9
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2022 | Journal Article | LibreCat-ID: 40986
Nowakowski, M., Kalinko, A., Szlachetko, J., Fanselow, R., & Bauer, M. (2022). High resolution off resonant spectroscopy as a probe of the oxidation state. Journal of Analytical Atomic Spectrometry, 37(11), 2383–2391. https://doi.org/10.1039/d2ja00232a
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2022 | Journal Article | LibreCat-ID: 40988
Weber, S., Zimmermann, R. T., Bremer, J., Abel, K. L., Poppitz, D., Prinz, N., Ilsemann, J., Wendholt, S., Yang, Q., Pashminehazar, R., Monaco, F., Cloetens, P., Huang, X., Kübel, C., Kondratenko, E., Bauer, M., Bäumer, M., Zobel, M., Gläser, R., … Sheppard, T. L. (2022). Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation. ChemCatChem, 14(8). https://doi.org/10.1002/cctc.202101878
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2022 | Journal Article | LibreCat-ID: 29790 |
Kothe, L., Albert, M., Meier, C., Wagner, T., & Tiemann, M. (2022). Stimulation and Enhancement of Near‐Band‐Edge Emission in Zinc Oxide by Distributed Bragg Reflectors. Advanced Materials Interfaces, Article 2102357. https://doi.org/10.1002/admi.202102357
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2021 | Book Chapter | LibreCat-ID: 24935 |
Bauer, A., Sacher, M., Habig, S., & Fechner, S. (2021). Laborpraktika auf Distanz. Ansätze in den Naturwissenschaften. In I. Neiske, J. Osthushenrich, N. Schaper, U. Trier, & N. Vöing (Eds.), Hochschule auf Abstand. Ein multiperspektivischer Zugang zur digitalen Lehre (Vol. 3, pp. 155–168). transcript Verlag.
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2021 | Journal Article | LibreCat-ID: 25182
Zhang, Y., Wan, G., Lewis, N. H. C., Mars, J., Bone, S. E., Steinrück, H.-G., Lukatskaya, M. R., Weadock, N. J., Bajdich, M., Borodin, O., Tokmakoff, A., Toney, M. F., & Maginn, E. J. (2021). Water or Anion? Uncovering the Zn2+ Solvation Environment in Mixed Zn(TFSI)2 and LiTFSI Water-in-Salt Electrolytes. ACS Energy Letters, 6, 3458–3463. https://doi.org/10.1021/acsenergylett.1c01624
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2021 | Journal Article | LibreCat-ID: 25183
Geise, N. R., Kasse, R. M., Nelson Weker, J., Steinrück, H.-G., & Toney, M. F. (2021). Quantification of Efficiency in Lithium Metal Negative Electrodes via Operando X-ray Diffraction. Chemistry of Materials, 33, 7537–7545. https://doi.org/10.1021/acs.chemmater.1c02585
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