| Intricacies of DFT+ U, not only in a numeric atom centered orbital framework M Kick, K Reuter, H Oberhofer Journal of chemical theory and computation 15 (3), 1705-1718, 2019 | 47 | 2019 |
| Controlled assembly and anomalous thermal expansion of ultrathin cesium lead bromide nanoplatelets CJ Krajewska, AEK Kaplan, M Kick, DB Berkinsky, H Zhu, T Sverko, ... Nano Letters 23 (6), 2148-2157, 2023 | 22 | 2023 |
| Infrared reflection–absorption spectroscopy and density functional theory investigations of ultrathin ZnO films formed on Ag (111) M Andersen, X Yu, M Kick, Y Wang, C Wöll, K Reuter The Journal of Physical Chemistry C 122 (9), 4963-4971, 2018 | 21 | 2018 |
| Mobile small polarons qualitatively explain conductivity in lithium titanium oxide battery electrodes M Kick, C Grosu, M Schuderer, C Scheurer, H Oberhofer The journal of physical chemistry letters 11 (7), 2535-2540, 2020 | 20 | 2020 |
| Towards a transferable design of solid-state embedding models on the example of a rutile TiO2 (110) surface M Kick, H Oberhofer The Journal of Chemical Physics 151 (18), 2019 | 17 | 2019 |
| Synthesis of Zwitterionic CsPbBr3 Nanocrystals with Controlled Anisotropy using Surface‐Selective Ligand Pairs H Zhu, M Kick, M Ginterseder, CJ Krajewska, T Šverko, R Li, Y Lu, ... Advanced Materials 35 (39), 2304069, 2023 | 15 | 2023 |
| Formation and stability of small polarons at the lithium-terminated Li4Ti5O12 (LTO)(111) surface M Kick, C Scheurer, H Oberhofer The Journal of Chemical Physics 153 (14), 2020 | 11 | 2020 |
| Polaron-assisted charge transport in Li-ion battery anode materials M Kick, C Scheurer, H Oberhofer ACS Applied Energy Materials 4 (8), 8583-8591, 2021 | 10 | 2021 |
| A-Site Cation Influence on the Structural and Optical Evolution of Ultrathin Lead Halide Perovskite Nanoplatelets CJ Krajewska, M Kick, AEK Kaplan, DB Berkinsky, H Zhu, T Sverko, ... ACS nano 18 (11), 8248-8258, 2024 | 7 | 2024 |
| Super-resolution techniques to simulate electronic spectra of large molecular systems M Kick, E Alexander, A Beiersdorfer, T Van Voorhis Nature Communications 15 (1), 8001, 2024 | 1 | 2024 |
| Understanding Trap States in InP and GaP Quantum Dots through Density Functional Theory E Alexander, M Kick, AR McIsaac, T Van Voorhis Nano Letters 24 (24), 7227-7235, 2024 | 1 | 2024 |
| The Origin of Enhanced Conductivity and Structure Change in Defective Li4Ti5O12 or Blue-LTO: a study combined theoretical and experimental perspectives Y Chan, C Grosu, M Kick, P Jakes, S Seidlmayer, T Gigl, W Egger, ... arXiv preprint arXiv:2410.02535, 2024 | | 2024 |
| Synthesis of Zwitterionic CsPbBr H Zhu, M Kick, M Ginterseder, CJ Krajewska, T Šverko, R Li, Y Lu, ... | | 2023 |
| Formation and stability of small polarons at the lithium-terminated Li₄Ti₅O₁₂ (LTO)(111) surface M Kick, C Scheurer, H Oberhofer The Journal of Chemical Physics 153 (14), 2020 | | 2020 |
| Implementation of DFT+ U and its use for simulating Polarons in Oxide-and Battery materials M Kick Technische Universität München, 2020 | | 2020 |
| DFT plus U within a numeric atom centered orbital framework and its intricacies M Kick, K Reuter, H Oberhofer ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| IRRAS and DFT Investigations of Ultrathin ZnO Films Formed on Ag (111) X Yu, M Andersen, M Kick, K Reuter, C Wöll, Y Wang | | |
Harald OberhoferProfessor of Theoretical Physics, University of BayreuthAdresă de e-mail confirmată pe uni-bayreuth.de