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1274 Publications
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).
2022 | Journal Article | LibreCat-ID: 46479
Oxidation stability of chromium aluminum oxynitride hard coatings
K. Bobzin, C. Kalscheuer, G. Grundmeier, S. Kollmann, M. Carlet, M.T. de los Arcos de Pedro, Surface and Coatings Technology 449 (2022).
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| DOI
K. Bobzin, C. Kalscheuer, G. Grundmeier, S. Kollmann, M. Carlet, M.T. de los Arcos de Pedro, Surface and Coatings Technology 449 (2022).
2022 | Conference Paper | LibreCat-ID: 35830
Modeling-based learning about chemical phenomena in primary education
J. Elsner, C. Tenberge, S. Fechner, in: G.S. Carvalho, A.S. Afonso, Z. Anastácio (Eds.), Fostering Scientific Citizenship in an Uncertain World (Proceedings of ESERA 2021), CIEC, University of Minho, Braga, n.d., pp. 1241–1249.
LibreCat
J. Elsner, C. Tenberge, S. Fechner, in: G.S. Carvalho, A.S. Afonso, Z. Anastácio (Eds.), Fostering Scientific Citizenship in an Uncertain World (Proceedings of ESERA 2021), CIEC, University of Minho, Braga, n.d., pp. 1241–1249.
2022 | Conference Paper | LibreCat-ID: 33559
Analogien zur Förderung schülerseitigen Modellierens im Sachunterricht
J. Elsner, C. Tenberge, S. Fechner, in: S. Habig, H. van Vorst (Eds.), Unsicherheit als Element von naturwissenschaftsbezogenen Bildungsprozessen, 2022, pp. 500–503.
LibreCat
J. Elsner, C. Tenberge, S. Fechner, in: S. Habig, H. van Vorst (Eds.), Unsicherheit als Element von naturwissenschaftsbezogenen Bildungsprozessen, 2022, pp. 500–503.
2022 | Journal Article | LibreCat-ID: 40987
Quality or Quantity? How Structural Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation
S. Schlicher, N. Prinz, J. Bürger, A. Omlor, C. Singer, M. Zobel, R. Schoch, J.K.N. Lindner, V. Schünemann, S. Kureti, M. Bauer, Catalysts 12 (2022).
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S. Schlicher, N. Prinz, J. Bürger, A. Omlor, C. Singer, M. Zobel, R. Schoch, J.K.N. Lindner, V. Schünemann, S. Kureti, M. Bauer, Catalysts 12 (2022).
2021 | Book Chapter | LibreCat-ID: 24935 |
Laborpraktika auf Distanz. Ansätze in den Naturwissenschaften
A. Bauer, M. Sacher, S. Habig, S. Fechner, in: I. Neiske, J. Osthushenrich, N. Schaper, U. Trier, N. Vöing (Eds.), Hochschule auf Abstand. Ein multiperspektivischer Zugang zur digitalen Lehre, transcript Verlag, Bielefeld, 2021, pp. 155–168.
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A. Bauer, M. Sacher, S. Habig, S. Fechner, in: I. Neiske, J. Osthushenrich, N. Schaper, U. Trier, N. Vöing (Eds.), Hochschule auf Abstand. Ein multiperspektivischer Zugang zur digitalen Lehre, transcript Verlag, Bielefeld, 2021, pp. 155–168.
2021 | Journal Article | LibreCat-ID: 25182
Water or Anion? Uncovering the Zn2+ Solvation Environment in Mixed Zn(TFSI)2 and LiTFSI Water-in-Salt Electrolytes
Y. Zhang, G. Wan, N.H.C. Lewis, J. Mars, S.E. Bone, H.-G. Steinrück, M.R. Lukatskaya, N.J. Weadock, M. Bajdich, O. Borodin, A. Tokmakoff, M.F. Toney, E.J. Maginn, ACS Energy Letters 6 (2021) 3458–3463.
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Y. Zhang, G. Wan, N.H.C. Lewis, J. Mars, S.E. Bone, H.-G. Steinrück, M.R. Lukatskaya, N.J. Weadock, M. Bajdich, O. Borodin, A. Tokmakoff, M.F. Toney, E.J. Maginn, ACS Energy Letters 6 (2021) 3458–3463.
2021 | Journal Article | LibreCat-ID: 25183
Quantification of Efficiency in Lithium Metal Negative Electrodes via Operando X-ray Diffraction
N.R. Geise, R.M. Kasse, J. Nelson Weker, H.-G. Steinrück, M.F. Toney, Chemistry of Materials 33 (2021) 7537–7545.
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N.R. Geise, R.M. Kasse, J. Nelson Weker, H.-G. Steinrück, M.F. Toney, Chemistry of Materials 33 (2021) 7537–7545.
2021 | Journal Article | LibreCat-ID: 25184
Toward Unraveling the Origin of Lithium Fluoride in the Solid Electrolyte Interphase
C. Cao, T.P. Pollard, O. Borodin, J.E. Mars, Y. Tsao, M.R. Lukatskaya, R.M. Kasse, M.A. Schroeder, K. Xu, M.F. Toney, H.-G. Steinrück, Chemistry of Materials 33 (2021) 7315–7336.
LibreCat
| DOI
C. Cao, T.P. Pollard, O. Borodin, J.E. Mars, Y. Tsao, M.R. Lukatskaya, R.M. Kasse, M.A. Schroeder, K. Xu, M.F. Toney, H.-G. Steinrück, Chemistry of Materials 33 (2021) 7315–7336.
2021 | Journal Article | LibreCat-ID: 25272
Zinc Anodizing: Structural Diversity of Anodic Zinc Oxide Controlled by the Type of Electrolyte
K. Engelkemeier, A. Sun, D. Voswinkel, O. Grydin, M. Schaper, W. Bremser, ChemElectroChem (2021) 2155–2168.
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| DOI
K. Engelkemeier, A. Sun, D. Voswinkel, O. Grydin, M. Schaper, W. Bremser, ChemElectroChem (2021) 2155–2168.
2021 | Journal Article | LibreCat-ID: 28198
General relationship between salt concentration and x-ray absorption for binary electrolytes
H.-G. Steinrück, AIP Advances 11 (2021) 115119.
LibreCat
| DOI
H.-G. Steinrück, AIP Advances 11 (2021) 115119.
2021 | Journal Article | LibreCat-ID: 26011
Self-Assembled Fibrinogen Hydro- and Aerogels with Fibrin-like 3D Structures
D. Hense, A. Büngeler, F. Kollmann, M. Hanke, A. Orive, A. Keller, G. Grundmeier, K. Huber, O.I. Strube, Biomacromolecules 22 (2021) 4084–4094.
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D. Hense, A. Büngeler, F. Kollmann, M. Hanke, A. Orive, A. Keller, G. Grundmeier, K. Huber, O.I. Strube, Biomacromolecules 22 (2021) 4084–4094.
2021 | Conference Paper | LibreCat-ID: 26718 |
Erweiterung des epistemologischen Verständnisses durch Konfrontation mit anomalen Daten.
P. Pollmeier, S. Fechner, in: S. Habig (Ed.), Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?, Universität Duisburg-Essen, 2021, pp. 605–608.
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P. Pollmeier, S. Fechner, in: S. Habig (Ed.), Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?, Universität Duisburg-Essen, 2021, pp. 605–608.
2021 | Journal Article | LibreCat-ID: 26759
Morphological Dynamics of Leukemia Cells on TiO2 Nanoparticle Coatings Studied by AFM
J.A. Garcia Diosa, A. Gonzalez Orive, G. Grundmeier, R.J. Camargo Amado, A. Keller, Applied Sciences 11 (2021) 9898.
LibreCat
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J.A. Garcia Diosa, A. Gonzalez Orive, G. Grundmeier, R.J. Camargo Amado, A. Keller, Applied Sciences 11 (2021) 9898.
2021 | Journal Article | LibreCat-ID: 26985
Influence of thickness, homogeneity, and morphology of TiO2-m nanoparticle coatings on cancer cell adhesion
J.A. Garcia-Diosa, A.G. Orive, G. Grundmeier, A. Keller, R.J. Camargo-Amado, Surface and Coatings Technology (2021) 127823.
LibreCat
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J.A. Garcia-Diosa, A.G. Orive, G. Grundmeier, A. Keller, R.J. Camargo-Amado, Surface and Coatings Technology (2021) 127823.
2021 | Journal Article | LibreCat-ID: 27016
Using In Situ High-Energy X-ray Diffraction to Quantify Electrode Behavior of Li-Ion Batteries from Extreme Fast Charging
P.P. Paul, C. Cao, V. Thampy, H.-G. Steinrück, T.R. Tanim, A.R. Dunlop, S.E. Trask, A.N. Jansen, E.J. Dufek, J. Nelson Weker, M.F. Toney, ACS Applied Energy Materials 4 (2021) 11590–11598.
LibreCat
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P.P. Paul, C. Cao, V. Thampy, H.-G. Steinrück, T.R. Tanim, A.R. Dunlop, S.E. Trask, A.N. Jansen, E.J. Dufek, J. Nelson Weker, M.F. Toney, ACS Applied Energy Materials 4 (2021) 11590–11598.
2021 | Journal Article | LibreCat-ID: 27017
Unraveling the Unconventional Order of a High-Mobility Indacenodithiophene–Benzothiadiazole Copolymer
C. Cendra, L. Balhorn, W. Zhang, K. O’Hara, K. Bruening, C.J. Tassone, H.-G. Steinrück, M. Liang, M.F. Toney, I. McCulloch, M.L. Chabinyc, A. Salleo, C.J. Takacs, ACS Macro Letters 10 (2021) 1306–1314.
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C. Cendra, L. Balhorn, W. Zhang, K. O’Hara, K. Bruening, C.J. Tassone, H.-G. Steinrück, M. Liang, M.F. Toney, I. McCulloch, M.L. Chabinyc, A. Salleo, C.J. Takacs, ACS Macro Letters 10 (2021) 1306–1314.
2021 | Journal Article | LibreCat-ID: 21207
Guanine condensates as covalent materials and the concept of cryptopores
J. Kossmann, D. Piankova, N. V. Tarakina, J.J. Heske, T. Kühne, J. Schmidt, M. Antonietti, N. López-Salas, Carbon 172 (2021) 497–505.
LibreCat
| DOI
J. Kossmann, D. Piankova, N. V. Tarakina, J.J. Heske, T. Kühne, J. Schmidt, M. Antonietti, N. López-Salas, Carbon 172 (2021) 497–505.
2021 | Journal Article | LibreCat-ID: 23609
Visualization of dynamic polaronic strain fields in hybrid lead halide perovskites
B. Guzelturk, T. Winkler, T.W.J. Van de Goor, M.D. Smith, S.A. Bourelle, S. Feldmann, M. Trigo, S.W. Teitelbaum, H.-G. Steinrück, G.A. de la Pena, R. Alonso-Mori, D. Zhu, T. Sato, H.I. Karunadasa, M.F. Toney, F. Deschler, A.M. Lindenberg, Nature Materials 20 (2021) 618–623.
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B. Guzelturk, T. Winkler, T.W.J. Van de Goor, M.D. Smith, S.A. Bourelle, S. Feldmann, M. Trigo, S.W. Teitelbaum, H.-G. Steinrück, G.A. de la Pena, R. Alonso-Mori, D. Zhu, T. Sato, H.I. Karunadasa, M.F. Toney, F. Deschler, A.M. Lindenberg, Nature Materials 20 (2021) 618–623.