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1251 Publications
2022 | Journal Article | LibreCat-ID: 41649
Targeted Synthesis of the Type-A Particle Substructure from Enzymatically Produced Eumelanin
A. Büngeler, F. Kollmann, K. Huber, O.I. Strube, Biomacromolecules 23 (2022) 1020–1029.
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| DOI
A. Büngeler, F. Kollmann, K. Huber, O.I. Strube, Biomacromolecules 23 (2022) 1020–1029.
2022 | Journal Article | LibreCat-ID: 29790 | 
Stimulation and Enhancement of Near‐Band‐Edge Emission in Zinc Oxide by Distributed Bragg Reflectors
L. Kothe, M. Albert, C. Meier, T. Wagner, M. Tiemann, Advanced Materials Interfaces (2022).
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L. Kothe, M. Albert, C. Meier, T. Wagner, M. Tiemann, Advanced Materials Interfaces (2022).
2022 | Journal Article | LibreCat-ID: 35707 |
The role of sulfonate groups and hydrogen bonding in the proton conductivity of two coordination networks
A. Javed, F. Steinke, S. Wöhlbrandt, H. Bunzen, N. Stock, M. Tiemann, Beilstein Journal of Nanotechnology 13 (2022) 437–443.
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A. Javed, F. Steinke, S. Wöhlbrandt, H. Bunzen, N. Stock, M. Tiemann, Beilstein Journal of Nanotechnology 13 (2022) 437–443.
2022 | Journal Article | LibreCat-ID: 33691
Challenges in the interpretation of gas core levels for the determination of gas-solid interactions within dielectric porous films by ambient pressure XPS
T. de los Arcos, C. Weinberger, F. Zysk, V. Raj Damerla, S. Kollmann, P. Vieth, M. Tiemann, T. Kühne, G. Grundmeier, Applied Surface Science 604 (2022).
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| DOI
T. de los Arcos, C. Weinberger, F. Zysk, V. Raj Damerla, S. Kollmann, P. Vieth, M. Tiemann, T. Kühne, G. Grundmeier, Applied Surface Science 604 (2022).
2022 | Journal Article | LibreCat-ID: 33685 |
The Structure of Water in Silica Mesopores – Influence of the Pore Wall Polarity
C. Weinberger, F. Zysk, M. Hartmann, N. Kaliannan, W. Keil, T. Kühne, M. Tiemann, Advanced Materials Interfaces 9 (2022).
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C. Weinberger, F. Zysk, M. Hartmann, N. Kaliannan, W. Keil, T. Kühne, M. Tiemann, Advanced Materials Interfaces 9 (2022).
2022 | Journal Article | LibreCat-ID: 29376
Pyrolysis of sucrose-derived hydrochar
M. Wortmann, W. Keil, B. Brockhagen, J. Biedinger, M. Westphal, C. Weinberger, E. Diestelhorst, W. Hachmann, Y. Zhao, M. Tiemann, G. Reiss, B. Hüsgen, C. Schmidt, K. Sattler, N. Frese, Journal of Analytical and Applied Pyrolysis 161 (2022).
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M. Wortmann, W. Keil, B. Brockhagen, J. Biedinger, M. Westphal, C. Weinberger, E. Diestelhorst, W. Hachmann, Y. Zhao, M. Tiemann, G. Reiss, B. Hüsgen, C. Schmidt, K. Sattler, N. Frese, Journal of Analytical and Applied Pyrolysis 161 (2022).
2022 | Journal Article | LibreCat-ID: 28254 |
Porous SiO2 coated dielectric metasurface with consistent performance independent of environmental conditions
R. Geromel, C. Weinberger, K. Brormann, M. Tiemann, T. Zentgraf, Optical Materials Express 12 (2022) 13–21.
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R. Geromel, C. Weinberger, K. Brormann, M. Tiemann, T. Zentgraf, Optical Materials Express 12 (2022) 13–21.
2022 | Journal Article | LibreCat-ID: 33965 |
Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory
A. Bocchini, U. Gerstmann, T. Bartley, H.-G. Steinrück, G. Henkel, W.G. Schmidt, Phys. Rev. Materials 6 (2022) 105401.
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A. Bocchini, U. Gerstmann, T. Bartley, H.-G. Steinrück, G. Henkel, W.G. Schmidt, Phys. Rev. Materials 6 (2022) 105401.
2022 | Journal Article | LibreCat-ID: 40154
FeMn with Phases of a Degradable Ag Alloy for Residue-Free and Adapted Bioresorbability
J.T. Krüger, K.-P. Hoyer, J. Huang, V. Filor, R.H. Mateus-Vargas, H. Oltmanns, J. Meißner, G. Grundmeier, M. Schaper, Journal of Functional Biomaterials 13 (2022) 185.
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| DOI
J.T. Krüger, K.-P. Hoyer, J. Huang, V. Filor, R.H. Mateus-Vargas, H. Oltmanns, J. Meißner, G. Grundmeier, M. Schaper, Journal of Functional Biomaterials 13 (2022) 185.
2022 | Journal Article | LibreCat-ID: 34652
Enhancement of the delamination resistance of adhesive film coated surface laser melted aluminum 7075-T6 alloy by aminophosphonic acid adsorption
P. Vieth, M.-A. Garthe, D. Voswinkel, M. Schaper, G. Grundmeier, Surface and Coatings Technology 447 (2022).
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| DOI
P. Vieth, M.-A. Garthe, D. Voswinkel, M. Schaper, G. Grundmeier, Surface and Coatings Technology 447 (2022).
2022 | Journal Article | LibreCat-ID: 30103
Influence of proteins on the corrosion of a conventional and selective laser beam melted FeMn alloy in physiological electrolytes
J. Huang, A.G. Orive, J.T. Krüger, K.-P. Hoyer, A. Keller, G. Grundmeier, Corrosion Science 200 (2022) 110186.
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| DOI
J. Huang, A.G. Orive, J.T. Krüger, K.-P. Hoyer, A. Keller, G. Grundmeier, Corrosion Science 200 (2022) 110186.
2022 | Journal Article | LibreCat-ID: 34654
Microstructure and corrosion properties of PBF-LB produced carbide nanoparticles additivated AlSi10Mg parts
I.M. Kusoglu, P. Vieth, S. Heiland, F. Huber, A. Lüddecke, A.R. Ziefuss, A. Kwade, M. Schmidt, M. Schaper, S. Barcikowski, G. Grundmeier, Procedia CIRP 111 (2022) 10–13.
LibreCat
| DOI
I.M. Kusoglu, P. Vieth, S. Heiland, F. Huber, A. Lüddecke, A.R. Ziefuss, A. Kwade, M. Schmidt, M. Schaper, S. Barcikowski, G. Grundmeier, Procedia CIRP 111 (2022) 10–13.
2022 | Conference Abstract | LibreCat-ID: 44376
Development of Battery System Based on Na-S and Characterization Using X-ray Absorption Spectroscopy
G. Tonbul, J. Kappler, S. Murugan, R. Schoch, M. Nowakowski, P. Lange, M. Bauer, M.R. Buchmeiser, in: Edinburgh, 2022.
LibreCat
G. Tonbul, J. Kappler, S. Murugan, R. Schoch, M. Nowakowski, P. Lange, M. Bauer, M.R. Buchmeiser, in: Edinburgh, 2022.
2022 | Journal Article | LibreCat-ID: 45007
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
Y. Yang, J. Cheramy, M. Brehm, Y. Xu, ChemPhysChem 23 (11) (2022) e202200161.
LibreCat
| DOI
Y. Yang, J. Cheramy, M. Brehm, Y. Xu, ChemPhysChem 23 (11) (2022) e202200161.
2022 | Journal Article | LibreCat-ID: 45010
Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF–NaF–ZrF4 Molten Salt
R. Chahal, S. Roy, M. Brehm, S. Banerjee, V. Bryantsev, S. Lam, JACS Au 2 (12) (2022) 2693–2702.
LibreCat
| DOI
R. Chahal, S. Roy, M. Brehm, S. Banerjee, V. Bryantsev, S. Lam, JACS Au 2 (12) (2022) 2693–2702.
2022 | Journal Article | LibreCat-ID: 45008
Conformer Weighting and Differently Sized Cluster Weighting for Nicotine and its Phosphorus Derivatives
S. Taherivardanjani, J. Blasius, M. Brehm, R. Dötzer, B. Kirchner, J. Phys. Chem. A 126 (40) (2022) 7070–7083.
LibreCat
| DOI
S. Taherivardanjani, J. Blasius, M. Brehm, R. Dötzer, B. Kirchner, J. Phys. Chem. A 126 (40) (2022) 7070–7083.
2022 | Journal Article | LibreCat-ID: 45009
Cluster Analysis in Liquids: A Novel Tool in TRAVIS
T. Frömbgen, J. Blasius, V. Alizadeh, A. Chaumont, M. Brehm, B. Kirchner, J. Chem. Inf. Model. 62 (22) (2022) 5634–5644.
LibreCat
| DOI
T. Frömbgen, J. Blasius, V. Alizadeh, A. Chaumont, M. Brehm, B. Kirchner, J. Chem. Inf. Model. 62 (22) (2022) 5634–5644.
2022 | Journal Article | LibreCat-ID: 33834
A mechanistic study of the dopant-induced breakdown in halide perovskites using solid state energy storage devices
A.G.M. Mathieson, W.M. Dose, H.-G. Steinrück, C.J. Takacs, S. Feldmann, R. Pandya, A.J. Merryweather, D. Mackanic, A. Rao, F. Deschler, M. De Volder, Energy & Environmental Science 15 (2022) 4323–4337.
LibreCat
| DOI
A.G.M. Mathieson, W.M. Dose, H.-G. Steinrück, C.J. Takacs, S. Feldmann, R. Pandya, A.J. Merryweather, D. Mackanic, A. Rao, F. Deschler, M. De Volder, Energy & Environmental Science 15 (2022) 4323–4337.
2022 | Preprint | LibreCat-ID: 32404
CP2K on the road to exascale
T. Kühne, C. Plessl, R. Schade, O. Schütt, ArXiv:2205.14741 (2022).
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T. Kühne, C. Plessl, R. Schade, O. Schütt, ArXiv:2205.14741 (2022).
2022 | Journal Article | LibreCat-ID: 33684 |
Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms
R. Schade, T. Kenter, H. Elgabarty, M. Lass, O. Schütt, A. Lazzaro, H. Pabst, S. Mohr, J. Hutter, T. Kühne, C. Plessl, Parallel Computing 111 (2022).
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R. Schade, T. Kenter, H. Elgabarty, M. Lass, O. Schütt, A. Lazzaro, H. Pabst, S. Mohr, J. Hutter, T. Kühne, C. Plessl, Parallel Computing 111 (2022).