Guillot-Deudon, C., Caldes, M. T., Stoliaroff, A., Choubrac, L., Paris, M., Latouche, C., Barreau, N., Lafond, A. & Jobic, S. (2018) Crystal Chemistry, Optical-Electronic Properties, and Electronic Structure of Cd1-xIn2+2x/3S4 Compounds (0 <= x <= 1), Potential Buffer in CIGS-Based Thin-Film Solar Cells. Inorganic Chemistry, 57 12624–12631. |
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Last edited by: Richard Baschera 2018-12-19 10:43:46 |
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Stoliaroff, A., Barreau, N., Jobic, S. & Latouche, C. (2018) Beta-In2S3 for photovoltaic devices: investigation of the native point defects with ab initio first-principle calculations. Theoretical Chemistry Accounts, 137 102. |
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Last edited by: Richard Baschera 2018-07-24 14:28:41 |
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Stoliaroff, A., Latouche, C. & Jobic, S. (2021) Impact of point defects on the electrical properties of selenium: A density functional theory investigation with discussion of the entropic term. Physical Review B, 103. |
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Last edited by: Richard Baschera 2021-06-03 10:20:54 |
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Stoliaroff, A., Jobic, S. & Latouche, C. (2020) An Ab initio Perspective on the Key Defects of CsCu5Se3, a Possible Material for Optoelectronic Applications. The Journal of Physical Chemistry C, 124 4363–4368. |
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Last edited by: Richard Baschera 2020-03-19 09:09:21 |
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Stoliaroff, A., Latouche, C. & Jobic, S. (2019) Versatile electrical behavior of 1T-TiS2 elucidated from a theoretical study. Physical Review B, 99 165122. |
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Last edited by: Richard Baschera 2019-05-06 15:28:26 |
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Stoliaroff, A., Schira, R., Blumentritt, F., Fritsch, E., Jobic, S. & Latouche, C. (2021) Point Defects Modeling Explains Multiple Sulfur Species in Sulfur-Doped Na-4(Al3Si3O12)Cl Sodalite. J. Phys. Chem. C, 125 16674–16680. |
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Last edited by: Richard Baschera 2021-09-27 09:08:04 |
Pop. 1.5%
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Stoliaroff, A., Lecomte, A., Rubel, O., Jobic, S., Zhang, X., Latouche, C. & Rocquefelte, X. (2020) Deciphering the Role of Key Defects in Sb2Se3, a Promising Candidate for Chalcogenide-Based Solar Cells. ACS Appl. Energy Mater. 3 2496–2509. |
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Last edited by: Richard Baschera 2020-05-07 11:55:44 |
Pop. 1.5%
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Stoliaroff, A., Jobic, S. & Latouche, C. (2019) New insights into the determination of maximum chemical potentials to account for alkali doping in beta-In2S3 by ab initio calculations. Computational Materials Science, 168 221–228. |
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Last edited by: Richard Baschera 2019-08-22 13:48:09 |
Pop. 0.75%
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Stoliaroff, A., Jobic, S. & Latouche, C. (2018) PyDEF 2.0: An Easy to Use Post-treatment Software for Publishable Charts Featuring a Graphical User Interface. J. Comput. Chem. 39 2251–2261. |
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Last edited by: Richard Baschera 2018-12-20 08:30:32 |
Pop. 1.25%
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Stoliaroff, A. & Latouche, C. (2020) Accurate Ab Initio Calculations on Various PV-Based Materials: Which Functional to Be Used? J. Phys. Chem. C, 124 8467–8478. |
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Last edited by: Richard Baschera 2020-05-25 08:15:43 |
Pop. 2.25%
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Stoliaroff, A., Rio, J. & Latouche, C. (2019) Accurate computations to simulate the phosphorescence spectra of large transition complexes: simulated colors match experiment. New Journal of Chemistry, 43 11903–11911. |
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Last edited by: Richard Baschera 2019-08-22 14:26:03 |
Pop. 1.5%
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Stoliaroff, A., Jobic, S. & Latouche, C. (2019) Optoelectronic Properties of TiS2: A Never Ended Story Tackled by Density Functional Theory and Many-Body Methods. Inorganic Chemistry, 58 1949–1957. |
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Last edited by: Richard Baschera 2019-02-22 10:11:07 |
Pop. 1.25%
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