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Matthias Kick
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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
462019
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
202018
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
162020
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
142019
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
102023
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
102020
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
52023
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
52021
Mobile Small Polarons Explain Conductivity in Lithium Titanium Oxide Battery Electrodes
M Kick, C Grosu, M Schuderer, C Scheurer, H Oberhofer
arXiv preprint arXiv:2001.00263, 2020
12020
Understanding Trap States in InP and GaP Quantum Dots Through Density Functional Theory
E Alexander, M Kick, A McIsaac, T Van Voorhis
arXiv preprint arXiv:2403.00703, 2024
2024
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, 2024
2024
Broad Yet Narrow: Super-resolution techniques to simulate electronic spectra of large molecular systems
M Kick, E Alexander, A Beiersdorfer, T Van Voorhis
arXiv preprint arXiv:2401.06929, 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
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