Wiktor J - Search Results

1

Charge Localization in Acene Crystals from Ab Initio Electronic Structure.

Ambrosio F, Wiktor J, Landi A, Peluso A. Ambrosio F, et al. Among authors: wiktor j. J Phys Chem Lett. 2023 Apr 6;14(13):3343-3351. doi: 10.1021/acs.jpclett.3c00191. Epub 2023 Mar 30. J Phys Chem Lett. 2023. PMID: 36994951 Free PMC article.

2

Partial Molar Volumes of Aqua Ions from First Principles.

Wiktor J, Bruneval F, Pasquarello A. Wiktor J, et al. J Chem Theory Comput. 2017 Aug 8;13(8):3427-3431. doi: 10.1021/acs.jctc.7b00474. Epub 2017 Jul 12. J Chem Theory Comput. 2017. PMID: 28683201

3

Identification of lead vacancy defects in lead halide perovskites.

Keeble DJ, Wiktor J, Pathak SK, Phillips LJ, Dickmann M, Durose K, Snaith HJ, Egger W. Keeble DJ, et al. Among authors: wiktor j. Nat Commun. 2021 Sep 22;12(1):5566. doi: 10.1038/s41467-021-25937-1. Nat Commun. 2021. PMID: 34552098 Free PMC article.

4

DFT + U investigation of charged point defects and clusters in UO2.

Vathonne E, Wiktor J, Freyss M, Jomard G, Bertolus M. Vathonne E, et al. Among authors: wiktor j. J Phys Condens Matter. 2014 Aug 13;26(32):325501. doi: 10.1088/0953-8984/26/32/325501. Epub 2014 Jul 17. J Phys Condens Matter. 2014. PMID: 25031239

5

First-principles calculations of momentum distributions of annihilating electron-positron pairs in defects in UO₂.

Wiktor J, Jomard G, Torrent M, Bertolus M. Wiktor J, et al. J Phys Condens Matter. 2017 Jan 25;29(3):035503. doi: 10.1088/1361-648X/29/3/035503. Epub 2016 Nov 21. J Phys Condens Matter. 2017. PMID: 27869643

6

Note: Assessment of the SCAN+rVV10 functional for the structure of liquid water.

Wiktor J, Ambrosio F, Pasquarello A. Wiktor J, et al. J Chem Phys. 2017 Dec 7;147(21):216101. doi: 10.1063/1.5006146. J Chem Phys. 2017. PMID: 29221373

7

pH-Dependent Surface Chemistry from First Principles: Application to the BiVO₄(010)-Water Interface.

Ambrosio F, Wiktor J, Pasquarello A. Ambrosio F, et al. Among authors: wiktor j. ACS Appl Mater Interfaces. 2018 Mar 28;10(12):10011-10021. doi: 10.1021/acsami.7b16545. Epub 2018 Mar 14. ACS Appl Mater Interfaces. 2018. PMID: 29498266

8

Strong Hole Trapping Due to Oxygen Dimers in BiVO₄: Effect on the Water Oxidation Reaction.

Ambrosio F, Wiktor J. Ambrosio F, et al. Among authors: wiktor j. J Phys Chem Lett. 2019 Nov 21;10(22):7113-7118. doi: 10.1021/acs.jpclett.9b02701. Epub 2019 Nov 6. J Phys Chem Lett. 2019. PMID: 31657932

9

Strong Electron Localization in Tin Halide Perovskites.

Ouhbi H, Ambrosio F, De Angelis F, Wiktor J. Ouhbi H, et al. Among authors: wiktor j. J Phys Chem Lett. 2021 Jun 10;12(22):5339-5343. doi: 10.1021/acs.jpclett.1c01326. Epub 2021 Jun 1. J Phys Chem Lett. 2021. PMID: 34062062 Free PMC article.

10

Cubic or Not Cubic? Combined Experimental and Computational Investigation of the Short-Range Order of Tin Halide Perovskites.

Morana M, Wiktor J, Coduri M, Chiara R, Giacobbe C, Bright EL, Ambrosio F, De Angelis F, Malavasi L. Morana M, et al. Among authors: wiktor j. J Phys Chem Lett. 2023 Mar 2;14(8):2178-2186. doi: 10.1021/acs.jpclett.3c00105. Epub 2023 Feb 21. J Phys Chem Lett. 2023. PMID: 36808992 Free PMC article.

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