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1252 Publications
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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2022 | Journal Article | LibreCat-ID: 35707 |
Javed, A., Steinke, F., Wöhlbrandt, S., Bunzen, H., Stock, N., & Tiemann, M. (2022). The role of sulfonate groups and hydrogen bonding in the proton conductivity of two coordination networks. Beilstein Journal of Nanotechnology, 13, 437–443. https://doi.org/10.3762/bjnano.13.36
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2022 | Journal Article | LibreCat-ID: 33691
de los Arcos, T., Weinberger, C., Zysk, F., Raj Damerla, V., Kollmann, S., Vieth, P., Tiemann, M., Kühne, T., & Grundmeier, G. (2022). Challenges in the interpretation of gas core levels for the determination of gas-solid interactions within dielectric porous films by ambient pressure XPS. Applied Surface Science, 604, Article 154525. https://doi.org/10.1016/j.apsusc.2022.154525
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2022 | Journal Article | LibreCat-ID: 33685 |
Weinberger, C., Zysk, F., Hartmann, M., Kaliannan, N., Keil, W., Kühne, T., & Tiemann, M. (2022). The Structure of Water in Silica Mesopores – Influence of the Pore Wall Polarity. Advanced Materials Interfaces, 9(20), Article 2200245. https://doi.org/10.1002/admi.202200245
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2022 | Journal Article | LibreCat-ID: 29376
Wortmann, M., Keil, W., Brockhagen, B., Biedinger, J., Westphal, M., Weinberger, C., Diestelhorst, E., Hachmann, W., Zhao, Y., Tiemann, M., Reiss, G., Hüsgen, B., Schmidt, C., Sattler, K., & Frese, N. (2022). Pyrolysis of sucrose-derived hydrochar. Journal of Analytical and Applied Pyrolysis, 161, Article 105404. https://doi.org/10.1016/j.jaap.2021.105404
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2022 | Journal Article | LibreCat-ID: 28254 |
Geromel, R., Weinberger, C., Brormann, K., Tiemann, M., & Zentgraf, T. (2022). Porous SiO2 coated dielectric metasurface with consistent performance independent of environmental conditions. Optical Materials Express, 12(1), 13–21. https://doi.org/10.1364/ome.444264
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2022 | Journal Article | LibreCat-ID: 33965 |
Bocchini, A., Gerstmann, U., Bartley, T., Steinrück, H.-G., Henkel, G., & Schmidt, W. G. (2022). Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory. Phys. Rev. Materials, 6, 105401. https://doi.org/10.1103/PhysRevMaterials.6.105401
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2022 | Journal Article | LibreCat-ID: 40154
Krüger, J. T., Hoyer, K.-P., Huang, J., Filor, V., Mateus-Vargas, R. H., Oltmanns, H., Meißner, J., Grundmeier, G., & Schaper, M. (2022). FeMn with Phases of a Degradable Ag Alloy for Residue-Free and Adapted Bioresorbability. Journal of Functional Biomaterials, 13(4), 185. https://doi.org/10.3390/jfb13040185
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2022 | Journal Article | LibreCat-ID: 34652
Vieth, P., Garthe, M.-A., Voswinkel, D., Schaper, M., & Grundmeier, G. (2022). Enhancement of the delamination resistance of adhesive film coated surface laser melted aluminum 7075-T6 alloy by aminophosphonic acid adsorption. Surface and Coatings Technology, 447, Article 128835. https://doi.org/10.1016/j.surfcoat.2022.128835
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2022 | Journal Article | LibreCat-ID: 30103
Huang, J., Orive, A. G., Krüger, J. T., Hoyer, K.-P., Keller, A., & Grundmeier, G. (2022). Influence of proteins on the corrosion of a conventional and selective laser beam melted FeMn alloy in physiological electrolytes. Corrosion Science, 200, 110186. https://doi.org/10.1016/j.corsci.2022.110186
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2022 | Journal Article | LibreCat-ID: 34654
Kusoglu, I. M., Vieth, P., Heiland, S., Huber, F., Lüddecke, A., Ziefuss, A. R., Kwade, A., Schmidt, M., Schaper, M., Barcikowski, S., & Grundmeier, G. (2022). Microstructure and corrosion properties of PBF-LB produced carbide nanoparticles additivated AlSi10Mg parts. Procedia CIRP, 111, 10–13. https://doi.org/10.1016/j.procir.2022.08.046
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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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