| 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 | 796 | 2016 |
| 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 | 221 | 2020 |
| 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 | 129 | 2018 |
| 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 | 113 | 2017 |
| 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 | 90 | 2014 |
| Role of Polarons in Water Splitting: The Case of BiVO4 J Wiktor, F Ambrosio, A Pasquarello ACS Energy Letters 3 (7), 1693-1697, 2018 | 76 | 2018 |
| 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 | 60 | 2017 |
| Absolute deformation potentials of two-dimensional materials J Wiktor, A Pasquarello Physical Review B 94 (24), 245411, 2016 | 56 | 2016 |
| 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 | 54 | 2021 |
| Coupled experimental and DFT+ U investigation of positron lifetimes in UO 2 J Wiktor, MF Barthe, G Jomard, M Torrent, M Freyss, M Bertolus Physical Review B 90 (18), 184101, 2014 | 49 | 2014 |
| 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 | 45 | 2018 |
| 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 | 42 | 2018 |
| 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 | 42 | 2015 |
| 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 | 41 | 2019 |
| Surface polarons reducing overpotentials in the oxygen evolution reaction P Gono, J Wiktor, F Ambrosio, A Pasquarello ACS Catalysis 8 (7), 5847-5851, 2018 | 40 | 2018 |
| 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 | 40 | 2017 |
| 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 | 40 | 2014 |
| Finite-size corrections of defect energy levels involving ionic polarization S Falletta, J Wiktor, A Pasquarello Physical Review B 102 (4), 041115, 2020 | 36 | 2020 |
| Electronic structure investigation of energetics and positron lifetimes of fully relaxed monovacancies with various charge states in 3 C-SiC and 6 H-SiC J Wiktor, G Jomard, M Torrent, M Bertolus Physical Review B 87 (23), 235207, 2013 | 35 | 2013 |
| Influence of Oxygen Vacancies on the Structure of BiVO4 N Österbacka, J Wiktor The Journal of Physical Chemistry C 125 (2), 1200-1207, 2021 | 34 | 2021 |
Alfredo PasquarelloProfessor of Condensed Matter Physics, EPFLVerified email at epfl.ch
