Articles with public access mandates - David EggerLearn more
Not available anywhere: 8
Effect of solid-state polarization on charge-transfer excitations and transport levels at organic interfaces from a screened range-separated hybrid functional
Z Zheng, DA Egger, JL Bredas, L Kronik, V Coropceanu
The Journal of Physical Chemistry Letters 8 (14), 3277-3283, 2017
Mandates: US Department of Defense, Austrian Science Fund, European Commission
Interplay of collective electrostatic effects and level alignment dictates the tunneling rates across halogenated aromatic monolayer junctions
X Chen, HV Annadata, B Kretz, M Zharnikov, X Chi, X Yu, DA Egger, ...
The journal of physical chemistry letters 10 (14), 4142-4147, 2019
Mandates: Federal Ministry of Education and Research, Germany, National Research …
Optically Induced Long-Lived Chirality Memory in the Color-Tunable Chiral Lead-Free Semiconductor (R)/(S)-CHEA4Bi2BrxI10–x (x = 0–10)
S Liu, MW Heindl, N Fehn, S Caicedo-Dávila, L Eyre, SM Kronawitter, ...
Journal of the American Chemical Society 144 (31), 14079-14089, 2022
Mandates: German Research Foundation, European Commission, Federal Ministry of …
Accurate molecular geometries in complex excited-state potential energy surfaces from time-dependent density functional theory
B Kretz, DA Egger
Journal of Chemical Theory and Computation 17 (1), 357-366, 2020
Mandates: German Research Foundation, Federal Ministry of Education and Research, Germany
Tuning the electronic structure of graphene through collective electrostatic effects
GJ Kraberger, DA Egger, E Zojer
Advanced Materials Interfaces 2 (17), 1500323, 2015
Mandates: Austrian Science Fund
Electronic structure of dipeptides in the gas-phase and as an adsorbed monolayer
C Guo, S Sarkar, S Refaely-Abramson, DA Egger, T Bendikov, ...
Physical Chemistry Chemical Physics 20 (10), 6860-6867, 2018
Mandates: Austrian Science Fund, European Commission, Federal Ministry of Education …
Assessing the accuracy of screened range-separated hybrids for bulk properties of semiconductors
SA Seidl, B Kretz, C Gehrmann, DA Egger
Physical Review Materials 5 (3), 034602, 2021
Mandates: German Research Foundation, Federal Ministry of Education and Research, Germany
Role of Preaggregation in Single-Molecule Photoredox Catalysis
B Kretz, P Wutz, J Schedlbauer, J Vogelsang, JM Lupton, DA Egger
The Journal of Physical Chemistry C 127 (24), 11666-11671, 2023
Mandates: German Research Foundation, Federal Ministry of Education and Research, Germany
Available somewhere: 61
Hybrid organic—inorganic perovskites: low-cost semiconductors with intriguing charge-transport properties
TM Brenner, DA Egger, L Kronik, G Hodes, D Cahen
Nature Reviews Materials 1 (1), 1-16, 2016
Mandates: Austrian Science Fund
Local polar fluctuations in lead halide perovskite crystals
O Yaffe, Y Guo, LZ Tan, DA Egger, T Hull, CC Stoumpos, F Zheng, ...
Physical review letters 118 (13), 136001, 2017
Mandates: US Department of Energy, US Department of Defense, Austrian Science Fund …
Valence and conduction band densities of states of metal halide perovskites: a combined experimental–theoretical study
J Endres, DA Egger, M Kulbak, RA Kerner, L Zhao, SH Silver, G Hodes, ...
The journal of physical chemistry letters 7 (14), 2722-2729, 2016
Mandates: US National Science Foundation, Austrian Science Fund
Optical phonons in methylammonium lead halide perovskites and implications for charge transport
M Sendner, PK Nayak, DA Egger, S Beck, C Müller, B Epding, ...
Materials Horizons 3 (6), 613-620, 2016
Mandates: Austrian Science Fund, UK Engineering and Physical Sciences Research Council …
What remains unexplained about the properties of halide perovskites?
DA Egger, A Bera, D Cahen, G Hodes, T Kirchartz, L Kronik, R Lovrincic, ...
Advanced Materials 30 (20), 1800691, 2018
Mandates: US Department of Defense, German Research Foundation, Federal Ministry of …
Hybrid organic–inorganic perovskites on the move
DA Egger, AM Rappe, L Kronik
Accounts of chemical research 49 (3), 573-581, 2016
Mandates: Austrian Science Fund
High chloride doping levels stabilize the perovskite phase of cesium lead iodide
S Dastidar, DA Egger, LZ Tan, SB Cromer, AD Dillon, S Liu, L Kronik, ...
Nano letters 16 (6), 3563-3570, 2016
Mandates: US Department of Energy, Austrian Science Fund
Are mobilities in hybrid organic–inorganic halide perovskites actually “high”?
TM Brenner, DA Egger, AM Rappe, L Kronik, G Hodes, D Cahen
The journal of physical chemistry letters 6 (23), 4754-4757, 2015
Mandates: Austrian Science Fund
Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites
X Wu, LZ Tan, X Shen, T Hu, K Miyata, MT Trinh, R Li, R Coffee, S Liu, ...
Science advances 3 (7), e1602388, 2017
Mandates: US National Science Foundation, US Department of Energy, US Department of …
Theory of hydrogen migration in organic–inorganic halide perovskites
DA Egger, L Kronik, AM Rappe
Angewandte Chemie International Edition 54 (42), 12437-12441, 2015
Mandates: Austrian Science Fund
Outer-valence electron spectra of prototypical aromatic heterocycles from an optimally tuned range-separated hybrid functional
DA Egger, S Weissman, S Refaely-Abramson, S Sharifzadeh, M Dauth, ...
Journal of Chemical Theory and Computation 10 (5), 1934-1952, 2014
Mandates: Austrian Science Fund, German Research Foundation, European Commission
Roadmap on organic–inorganic hybrid perovskite semiconductors and devices
L Schmidt-Mende, V Dyakonov, S Olthof, F Ünlü, KMT Lê, S Mathur, ...
Apl Materials 9 (10), 2021
Mandates: German Research Foundation, European Commission, Luxembourg National …
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