Articles with public access mandates - Peter DeakLearn more
Not available anywhere: 21
Choosing the correct hybrid for defect calculations: A case study on intrinsic carrier trapping in
P Deák, Q Duy Ho, F Seemann, B Aradi, M Lorke, T Frauenheim
Physical Review B 95 (7), 075208, 2017
Mandates: German Research Foundation
The mechanism of defect creation and passivation at the SiC/SiO2 interface
P Deák, JM Knaup, T Hornos, C Thill, A Gali, T Frauenheim
Journal of Physics D: Applied Physics 40 (20), 6242, 2007
Mandates: German Research Foundation
Origin of photoluminescence in
QD Ho, T Frauenheim, P Deák
Physical Review B 97 (11), 115163, 2018
Mandates: German Research Foundation
Water splitting and the band edge positions of TiO2
P Deak, J Kullgren, B Aradi, T Frauenheim, L Kavan
Electrochimica Acta 199, 27-34, 2016
Mandates: European Commission
Carbon in GaN: Calculations with an optimized hybrid functional
P Deák, M Lorke, B Aradi, T Frauenheim
Physical Review B 99 (8), 085206, 2019
Mandates: German Research Foundation
Theoretical confirmation of the polaron model for the Mg acceptor in β-Ga2O3
QD Ho, T Frauenheim, P Deák
Journal of Applied Physics 124 (14), 2018
Mandates: German Research Foundation
Predictive theoretical model for the selective electroreduction of nitrate to ammonia
T Mou, Y Wang, P Deák, H Li, J Long, X Fu, B Zhang, T Frauenheim, ...
The Journal of Physical Chemistry Letters 13 (42), 9919-9927, 2022
Mandates: Chinese Academy of Sciences, National Natural Science Foundation of China …
Challenges for ab initio defect modeling
P Deák, B Aradi, T Frauenheim, A Gali
Materials Science and Engineering: B 154, 187-192, 2008
Mandates: German Research Foundation
Limits of the scaled shift correction to levels of interstitial defects in semiconductors
P Deák, T Frauenheim, A Gali
Physical Review B—Condensed Matter and Materials Physics 75 (15), 153204, 2007
Mandates: German Research Foundation
Defect calculations with hybrid functionals in layered compounds and in slab models
P Deák, E Khorasani, M Lorke, M Farzalipour-Tabriz, B Aradi, ...
Physical Review B 100 (23), 235304, 2019
Mandates: German Research Foundation
SLABCC: total energy correction code for charged periodic slab models
MF Tabriz, B Aradi, T Frauenheim, P Deák
Computer Physics Communications 240, 101-105, 2019
Mandates: German Research Foundation
Intrinsic defects of GaSe
P Deák, M Han, M Lorke, MF Tabriz, T Frauenheim
Journal of Physics: Condensed Matter 32 (28), 285503, 2020
Mandates: National Natural Science Foundation of China, German Research Foundation
Activity and Mechanism Mapping of Photocatalytic NO2 Conversion on the Anatase TiO2(101) Surface
P Guo, X Fu, P Deak, T Frauenheim, J Xiao
The Journal of Physical Chemistry Letters 12 (32), 7708-7716, 2021
Mandates: Chinese Academy of Sciences, National Natural Science Foundation of China …
Possibilities and Limits of Decreasing the Gap of Anatase TiO2 by Alloying with Nitrogen
VK Gupta, M Lorke, T Frauenheim, P Deak
The Journal of Physical Chemistry C 125 (5), 3192-3197, 2021
Mandates: German Research Foundation
Influence of oxygen on the absorption of silicon carbide nanoparticles
M Vörös, P Deák, T Frauenheim, A Gali
Materials Science Forum 679, 520-523, 2011
Mandates: German Research Foundation, Hungarian Scientific Research Fund
The mechanism of interface state passivation by NO
P Deák, T Hornos, C Thill, J Knaup, A Gali, T Frauenheim
Materials science forum 556, 541-544, 2007
Mandates: German Research Foundation
Time-Dependent Density Functional Calculations on Hydrogenated Silicon Carbide Nanocrystals
M Vörös, P Deák, T Frauenheim, A Gali
Materials Science Forum 679, 516-519, 2011
Mandates: German Research Foundation, Hungarian Scientific Research Fund
TEM characterization of epitaxial 3C-SiC grains on Si (100) and Si (111)
Z Makkai, B Pecz, G Vida, P Deák
Microscopy of Semiconducting Materials 2003, 265-268, 2018
Mandates: European Commission
Silicon carbide: A playground for 1D-modulation electronics
P Deák, A Buruzs, A Gali, T Frauenheim, WJ Choyke
Materials science forum 527, 355-358, 2006
Mandates: German Research Foundation
Fundamental Limit of Selectivity in Photocatalytic Denitrification over Titania
P Guo, P Deák, X Fu, T Frauenheim, J Xiao
The Journal of Physical Chemistry Letters 13 (47), 11051-11058, 2022
Mandates: Chinese Academy of Sciences, National Natural Science Foundation of China …
Publication and funding information is determined automatically by a computer program