| Deciphering the Role of Key Defects in Sb2Se3, a Promising Candidate for Chalcogenide-Based Solar Cells A Stoliaroff, A Lecomte, O Rubel, S Jobic, XH Zhang, C Latouche, ... ACS Applied Energy Materials 3 (3), 2496-2509, 2020 | 62 | 2020 |
| PyDEF 2.0: An Easy to Use Post‐treatment Software for Publishable Charts Featuring a Graphical User Interface A Stoliaroff, S Jobic, C Latouche Journal of Computational Chemistry 39 (26), 2251-2261, 2018 | 34 | 2018 |
| Accurate computations to simulate the phosphorescence spectra of large transition complexes: simulated colors match experiment A Stoliaroff, J Rio, C Latouche New Journal of Chemistry 43 (30), 11903-11911, 2019 | 18 | 2019 |
| Optoelectronic Properties of TiS2: A Never Ended Story Tackled by Density Functional Theory and Many-Body Methods A Stoliaroff, S Jobic, C Latouche Inorganic chemistry 58 (3), 1949-1957, 2019 | 17 | 2019 |
| Accurate ab initio calculations on various PV-based materials: which functional to be used? A Stoliaroff, C Latouche The Journal of Physical Chemistry C 124 (16), 8467-8478, 2020 | 16 | 2020 |
| Versatile electrical behavior of elucidated from a theoretical study A Stoliaroff, C Latouche, S Jobic Physical Review B 99 (16), 165122, 2019 | 16 | 2019 |
| β-In2S3 for photovoltaic devices: investigation of the native point defects with ab initio first-principle calculations A Stoliaroff, N Barreau, S Jobic, C Latouche Theoretical Chemistry Accounts 137, 1-9, 2018 | 10 | 2018 |
| Point Defects Modeling Explains Multiple Sulfur Species in Sulfur-Doped Na4(Al3Si3O12)Cl Sodalite A Stoliaroff, R Schira, F Blumentritt, E Fritsch, S Jobic, C Latouche The Journal of Physical Chemistry C 125 (30), 16674-16680, 2021 | 9 | 2021 |
| Crystal Chemistry, Optical–Electronic Properties, and Electronic Structure of Cd1–xIn2+2x/3S4 Compounds (0 ≤ x ≤ 1), Potential Buffer in CIGS-Based Thin … C Guillot-Deudon, MT Caldes, A Stoliaroff, L Choubrac, M Paris, ... Inorganic chemistry 57 (20), 12624-12631, 2018 | 9 | 2018 |
| Impact of point defects on the electrical properties of selenium: A density functional theory investigation with discussion of the entropic term A Stoliaroff, C Latouche, S Jobic Physical Review B 103 (9), 094111, 2021 | 7 | 2021 |
| An Ab Initio Perspective on the Key Defects of CsCu5Se3, a Possible Material for Optoelectronic Applications A Stoliaroff, S Jobic, C Latouche The Journal of Physical Chemistry C 124 (8), 4363-4368, 2020 | 7 | 2020 |
| New insights into the determination of maximum chemical potentials to account for alkali doping in β-In2S3 by ab initio calculations A Stoliaroff, S Jobic, C Latouche Computational Materials Science 168, 221-228, 2019 | 7 | 2019 |
| Point Defects Modeling Explains Multiple Sulfur Species in Sulfur-Doped Na₄ (Al₃Si₃O₁₂) Cl Sodalite A Stoliaroff, R Schira, F Blumentritt, E Fritsch, S Jobic, C Latouche | | 2021 |
| Supplementary Information: An Ab Initio Perspective on the Key Defects of CsCu5 Se3, a Possible Material for Optoelectronic Applications A Stoliaroff, S Jobic, C Latouche | | |
