Следене
Julia Wiktor
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Позовавания
Позовавания
Година
Recent developments in the ABINIT software package
X Gonze, F Jollet, FA Araujo, D Adams, B Amadon, T Applencourt, ...
Computer physics communications 205, 106-131, 2016
8722016
ABINIT: Overview and focus on selected capabilities
AH Romero, DC Allan, B Amadon, G Antonius, T Applencourt, L Baguet, ...
The Journal of chemical physics 152 (12), 2020
2882020
Origin of low electron–hole recombination rate in metal halide perovskites
F Ambrosio, J Wiktor, F De Angelis, A Pasquarello
Energy & Environmental Science 11 (1), 101-105, 2018
1482018
Predictive determination of band gaps of inorganic halide perovskites
J Wiktor, U Rothlisberger, A Pasquarello
The journal of physical chemistry letters 8 (22), 5507-5512, 2017
1312017
DFT+ U investigation of charged point defects and clusters in UO2
E Vathonne, J Wiktor, M Freyss, G Jomard, M Bertolus
Journal of Physics: Condensed Matter 26 (32), 325501, 2014
982014
Role of Polarons in Water Splitting: The Case of BiVO4
J Wiktor, F Ambrosio, A Pasquarello
ACS Energy Letters 3 (7), 1693-1697, 2018
942018
Identification of lead vacancy defects in lead halide perovskites
DJ Keeble, J Wiktor, SK Pathak, LJ Phillips, M Dickmann, K Durose, ...
Nature Communications 12 (1), 5566, 2021
902021
Comprehensive modeling of the band gap and absorption spectrum of
J Wiktor, I Reshetnyak, F Ambrosio, A Pasquarello
Physical review materials 1 (2), 022401, 2017
692017
Absolute deformation potentials of two-dimensional materials
J Wiktor, A Pasquarello
Physical Review B 94 (24), 245411, 2016
612016
pH-Dependent Surface Chemistry from First Principles: Application to the BiVO4(010)–Water Interface
F Ambrosio, J Wiktor, A Pasquarello
ACS applied materials & interfaces 10 (12), 10011-10021, 2018
562018
Coupled experimental and investigation of positron lifetimes in
J Wiktor, MF Barthe, G Jomard, M Torrent, M Freyss, M Bertolus
Physical Review B 90 (18), 184101, 2014
522014
Nonempirical hybrid functionals for band gaps of inorganic metal-halide perovskites
T Bischoff, J Wiktor, W Chen, A Pasquarello
Physical Review Materials 3 (12), 123802, 2019
502019
Two-component density functional theory within the projector augmented-wave approach: Accurate and self-consistent computations of positron lifetimes and momentum distributions
J Wiktor, G Jomard, M Torrent
Physical Review B 92 (12), 125113, 2015
502015
pH-Dependent Catalytic Reaction Pathway for Water Splitting at the BiVO4–Water Interface from the Band Alignment
F Ambrosio, J Wiktor, A Pasquarello
ACS Energy Letters 3 (4), 829-834, 2018
492018
Surface polarons reducing overpotentials in the oxygen evolution reaction
P Gono, J Wiktor, F Ambrosio, A Pasquarello
ACS Catalysis 8 (7), 5847-5851, 2018
472018
Finite-size corrections of defect energy levels involving ionic polarization
S Falletta, J Wiktor, A Pasquarello
Physical Review B 102 (4), 041115, 2020
442020
Note: Assessment of the SCAN+ rVV10 functional for the structure of liquid water
J Wiktor, F Ambrosio, A Pasquarello
The Journal of chemical physics 147 (21), 2017
442017
Electron and Hole Polarons at the BiVO4–Water Interface
J Wiktor, A Pasquarello
ACS applied materials & interfaces 11 (20), 18423-18426, 2019
432019
Influence of Oxygen Vacancies on the Structure of BiVO4
N Österbacka, J Wiktor
The Journal of Physical Chemistry C 125 (2), 1200-1207, 2021
422021
Positron annihilation spectroscopy investigation of vacancy clusters in silicon carbide: Combining experiments and electronic structure calculations
J Wiktor, X Kerbiriou, G Jomard, S Esnouf, MF Barthe, M Bertolus
Physical Review B 89 (15), 155203, 2014
422014
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