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1274 Publications


2020 | Journal Article | LibreCat-ID: 24100
Nano-architectural complexity of zinc oxide nanowall hollow microspheres and their structural properties
K. Engelkemeier, J. Lindner, J. Bürger, K. Vaupel, M. Hartmann, M. Tiemann, K.-P. Hoyer, M. Schaper, Nanotechnology 31 (2020) 095701.
LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 16277 | OA
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
T. Kühne, M. Iannuzzi, M.D. Ben, V.V. Rybkin, P. Seewald, F. Stein, T. Laino, R.Z. Khaliullin, O. Schütt, F. Schiffmann, D. Golze, J. Wilhelm, S. Chulkov, M.H.B.-H. Mohammad Hossein Bani-Hashemian, V. Weber, U. Borstnik, M. Taillefumier, A.S. Jakobovits, A. Lazzaro, H. Pabst, T. Müller, R. Schade, M. Guidon, S. Andermatt, N. Holmberg, G.K. Schenter, A. Hehn, A. Bussy, F. Belleflamme, G. Tabacchi, A. Glöß, M. Lass, I. Bethune, C.J. Mundy, C. Plessl, M. Watkins, J. VandeVondele, M. Krack, J. Hutter, The Journal of Chemical Physics 152 (2020).
LibreCat | Files available | DOI | Download (ext.) | arXiv
 

2020 | Conference Paper | LibreCat-ID: 16898
A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K
M. Lass, R. Schade, T. Kühne, C. Plessl, in: Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC), IEEE Computer Society, Los Alamitos, CA, USA, 2020, pp. 1127–1140.
LibreCat | DOI | Download (ext.) | arXiv
 

2020 | Preprint | LibreCat-ID: 40994
Janus-type dual emission of a Cyclometalated Iron(III) complex
M. Bauer, J. Steube, A. Päpcke, O. Bokareva, T. Reuter, S. Demeshko, R. Schoch, S. Hohloch, F. Meyer, K. Heinze, O. Kühn, S. Lochbrunner, (2020).
LibreCat
 

2020 | Journal Article | LibreCat-ID: 12878 | OA
Accurate Sampling with Noisy Forces from Approximate Computing
V. Rengaraj, M. Lass, C. Plessl, T. Kühne, Computation 8 (2020).
LibreCat | DOI | Download (ext.) | arXiv
 

2020 | Journal Article | LibreCat-ID: 41025
Hard X-ray-based techniques for structural investigations of CO2 methanation catalysts prepared by MOF decomposition
N. Prinz, L. Schwensow, S. Strübbe, A. Jentys, M. Bauer, W. Kleist, M. Zobel, Nanoscale 12 (2020) 15800–15813.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 25303
Scalable and energy-efficient synthesis of CoxP for overall water splitting in alkaline media by high energy ball milling
H. Xue, H. Zhang, S. Fricke, M. Lüther, Z. Yang, A. Meng, W. Bremser, Z. Li, Sustainable Energy & Fuels (2019) 1723–1729.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 21364
Impact of Al Activators on Structure and Catalytic Performance of Cr Catalysts in Homogeneous Ethylene Oligomerization – A Multitechnique in situ/operando Study
R. Grauke, R. Schepper, J. Rabeah, R. Schoch, U. Bentrup, M. Bauer, A. Brückner, ChemCatChem (2019) 1025–1035.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 23619
Structural Origins of Light-Induced Phase Segregation in Organic-Inorganic Halide Perovskite Photovoltaic Materials
R.E. Beal, N.Z. Hagström, J. Barrier, A. Gold-Parker, R. Prasanna, K.A. Bush, D. Passarello, L.T. Schelhas, K. Brüning, C.J. Tassone, H.-G. Steinrück, M.D. McGehee, M.F. Toney, A.F. Nogueira, Matter 2 (2019) 207–219.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 23620
Shedding X-ray Light on the Interfacial Electrochemistry of Silicon Anodes for Li-Ion Batteries
C. Cao, B. Shyam, J. Wang, M.F. Toney, H.-G. Steinrück, Accounts of Chemical Research 52 (2019) 2673–2683.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 23621
Morphology of Organic Semiconductors Electrically Doped from Solution Using Phosphomolybdic Acid
T.-Y. Huang, F.A. Larrain, C.H. Borca, C. Fuentes-Hernandez, H. Yan, S.A. Schneider, W.-F. Chou, V.A. Rodriguez-Toro, H.-G. Steinrück, C. Cao, C.D. Sherrill, B. Kippelen, M.F. Toney, Chemistry of Materials 31 (2019) 6677–6683.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 23622
Solid Electrolyte Interphase on Native Oxide-Terminated Silicon Anodes for Li-Ion Batteries
C. Cao, I.I. Abate, E. Sivonxay, B. Shyam, C. Jia, B. Moritz, T.P. Devereaux, K.A. Persson, H.-G. Steinrück, M.F. Toney, Joule 3 (2019) 762–781.
LibreCat | DOI
 

2019 | Conference Paper | LibreCat-ID: 23762
Generierung von Schülerfragen in lebenweltlichen Kontexten
L. Schmitz, S. Fechner, in: C. Maurer (Ed.), Naturwissenschaftliche Bildung als Grundlage für berufliche und gesellschaftliche Teilhabe, Gesellschaft für Didaktik der Chemie und Physik, Jahrestagung Kiel 2018, Universität Regensburg, 2019, pp. 225–228.
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2019 | Conference Paper | LibreCat-ID: 23763
Die Wahrnehmung des Abstraktionsgrades von multiplen Repräsentationen
P. Akman, S. Fechner, in: C. Maurer (Ed.), Naturwissenschaftliche Bildung als Grundlage für berufliche und gesellschaftliche Teilhabe. Gesellschaft für Didaktik der Chemie und Physik, Jahrestagung in Kiel 2018, Universität Regensburg, 2019, pp. 811–814.
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2019 | Conference Paper | LibreCat-ID: 23764
Enkodierung chemischer Konzepte aus lebenweltlichen Kontexten
F. Kehne, S. Fechner, in: C. Maurer (Ed.), Naturwissenschaftliche Bildung als Grundlage für berufliche und gesellschaftliche Teilhabe. Gesellschaft für Didaktik der Chemie und Physik, Jahrestagung in Kiel 2018, Universität Regensburg, 2019, pp. 755–758.
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2019 | Journal Article | LibreCat-ID: 22652
Self-Assembly of Fibrinogen in Aqueous, Thrombin-Free Solutions of Variable Ionic Strengths
B. Hämisch, A. Büngeler, C. Kielar, A. Keller, O. Strube, K. Huber, Langmuir 35 (2019) 12113–12122.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 22653
Enhancing the stability of DNA origami nanostructures: staple strand redesign versus enzymatic ligation
S. Ramakrishnan, L. Schärfen, K. Hunold, S. Fricke, G. Grundmeier, M. Schlierf, A. Keller, G. Krainer, Nanoscale 11 (2019) 16270–16276.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 22654
Effect of Staple Age on DNA Origami Nanostructure Assembly and Stability
C. Kielar, Y. Xin, X. Xu, S. Zhu, N. Gorin, G. Grundmeier, C. Möser, D.M. Smith, A. Keller, Molecules 24 (2019) 2577.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 22655
Real-Time Observation of Superstructure-Dependent DNA Origami Digestion by DNase I Using High-Speed Atomic Force Microscopy.
S. Ramakrishnan, B. Shen, M. Kostiainen, G. Grundmeier, A. Keller, V. Linko, ChemBioChem 20 (2019) 2818–2823.
LibreCat | DOI | PubMed | Europe PMC
 

2019 | Journal Article | LibreCat-ID: 22656
DNA origami directed 3D nanoparticle superlattice via electrostatic assembly.
S. Julin, A. Korpi, B. Shen, V. Liljeström, O. Ikkala, A. Keller, V. Linko, M. Kostiainen, Nanoscale 11 (2019) 4546–4551.
LibreCat | DOI | PubMed | Europe PMC
 

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