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1252 Publications
2022 | Journal Article | LibreCat-ID: 29790 | 
L. Kothe, M. Albert, C. Meier, T. Wagner, and M. Tiemann, “Stimulation and Enhancement of Near‐Band‐Edge Emission in Zinc Oxide by Distributed Bragg Reflectors,” Advanced Materials Interfaces, Art. no. 2102357, 2022, doi: 10.1002/admi.202102357.
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2022 | Journal Article | LibreCat-ID: 35707 |
A. Javed, F. Steinke, S. Wöhlbrandt, H. Bunzen, N. Stock, and M. Tiemann, “The role of sulfonate groups and hydrogen bonding in the proton conductivity of two coordination networks,” Beilstein Journal of Nanotechnology, vol. 13, pp. 437–443, 2022, doi: 10.3762/bjnano.13.36.
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2022 | Journal Article | LibreCat-ID: 33691
T. de los Arcos et al., “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, vol. 604, Art. no. 154525, 2022, doi: 10.1016/j.apsusc.2022.154525.
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2022 | Journal Article | LibreCat-ID: 33685 |
C. Weinberger et al., “The Structure of Water in Silica Mesopores – Influence of the Pore Wall Polarity,” Advanced Materials Interfaces, vol. 9, no. 20, Art. no. 2200245, 2022, doi: 10.1002/admi.202200245.
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2022 | Journal Article | LibreCat-ID: 29376
M. Wortmann et al., “Pyrolysis of sucrose-derived hydrochar,” Journal of Analytical and Applied Pyrolysis, vol. 161, Art. no. 105404, 2022, doi: 10.1016/j.jaap.2021.105404.
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2022 | Journal Article | LibreCat-ID: 28254 |
R. Geromel, C. Weinberger, K. Brormann, M. Tiemann, and T. Zentgraf, “Porous SiO2 coated dielectric metasurface with consistent performance independent of environmental conditions,” Optical Materials Express, vol. 12, no. 1, pp. 13–21, 2022, doi: 10.1364/ome.444264.
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2022 | Journal Article | LibreCat-ID: 33965 |
A. Bocchini, U. Gerstmann, T. Bartley, H.-G. Steinrück, G. Henkel, and W. G. Schmidt, “Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory,” Phys. Rev. Materials, vol. 6, p. 105401, 2022, doi: 10.1103/PhysRevMaterials.6.105401.
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2022 | Journal Article | LibreCat-ID: 40154
J. T. Krüger et al., “FeMn with Phases of a Degradable Ag Alloy for Residue-Free and Adapted Bioresorbability,” Journal of Functional Biomaterials, vol. 13, no. 4, p. 185, 2022, doi: 10.3390/jfb13040185.
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2022 | Journal Article | LibreCat-ID: 34652
P. Vieth, M.-A. Garthe, D. Voswinkel, M. Schaper, and G. Grundmeier, “Enhancement of the delamination resistance of adhesive film coated surface laser melted aluminum 7075-T6 alloy by aminophosphonic acid adsorption,” Surface and Coatings Technology, vol. 447, Art. no. 128835, 2022, doi: 10.1016/j.surfcoat.2022.128835.
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2022 | Journal Article | LibreCat-ID: 30103
J. Huang, A. G. Orive, J. T. Krüger, K.-P. Hoyer, A. Keller, and G. Grundmeier, “Influence of proteins on the corrosion of a conventional and selective laser beam melted FeMn alloy in physiological electrolytes,” Corrosion Science, vol. 200, p. 110186, 2022, doi: 10.1016/j.corsci.2022.110186.
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2022 | Journal Article | LibreCat-ID: 34654
I. M. Kusoglu et al., “Microstructure and corrosion properties of PBF-LB produced carbide nanoparticles additivated AlSi10Mg parts,” Procedia CIRP, vol. 111, pp. 10–13, 2022, doi: 10.1016/j.procir.2022.08.046.
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2022 | Conference Abstract | LibreCat-ID: 44376
G. Tonbul et al., “Development of Battery System Based on Na-S and Characterization Using X-ray Absorption Spectroscopy,” presented at the Electrochem2022 & 63rd Corrosion Science Symposium, Edinburgh, 2022.
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2022 | Journal Article | LibreCat-ID: 45007
Y. Yang, J. Cheramy, M. Brehm, and Y. Xu, “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, vol. 23 (11), p. e202200161, 2022, doi: 10.1002/cphc.202200161.
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2022 | Journal Article | LibreCat-ID: 45010
R. Chahal, S. Roy, M. Brehm, S. Banerjee, V. Bryantsev, and S. Lam, “Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF–NaF–ZrF4 Molten Salt,” JACS Au, vol. 2 (12), pp. 2693–2702, 2022, doi: 10.1021/jacsau.2c00526.
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2022 | Journal Article | LibreCat-ID: 45008
S. Taherivardanjani, J. Blasius, M. Brehm, R. Dötzer, and B. Kirchner, “Conformer Weighting and Differently Sized Cluster Weighting for Nicotine and its Phosphorus Derivatives,” J. Phys. Chem. A, vol. 126 (40), pp. 7070–7083, 2022, doi: 10.1021/acs.jpca.2c03133.
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2022 | Journal Article | LibreCat-ID: 45009
T. Frömbgen, J. Blasius, V. Alizadeh, A. Chaumont, M. Brehm, and B. Kirchner, “Cluster Analysis in Liquids: A Novel Tool in TRAVIS,” J. Chem. Inf. Model., vol. 62 (22), pp. 5634–5644, 2022, doi: 10.1021/acs.jcim.2c01244.
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2022 | Journal Article | LibreCat-ID: 33834
A. G. M. Mathieson et al., “A mechanistic study of the dopant-induced breakdown in halide perovskites using solid state energy storage devices,” Energy & Environmental Science, vol. 15, no. 10, pp. 4323–4337, 2022, doi: 10.1039/d2ee01754g.
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2022 | Preprint | LibreCat-ID: 32404
T. Kühne, C. Plessl, R. Schade, and O. Schütt, “CP2K on the road to exascale,” arXiv:2205.14741. 2022.
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2022 | Journal Article | LibreCat-ID: 33684 |
R. Schade et al., “Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms,” Parallel Computing, vol. 111, Art. no. 102920, 2022, doi: 10.1016/j.parco.2022.102920.
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2022 | Journal Article | LibreCat-ID: 46479
K. Bobzin, C. Kalscheuer, G. Grundmeier, S. Kollmann, M. Carlet, and M. T. de los Arcos de Pedro, “Oxidation stability of chromium aluminum oxynitride hard coatings,” Surface and Coatings Technology, vol. 449, Art. no. 128927, 2022, doi: 10.1016/j.surfcoat.2022.128927.
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