De Souza RA - Search Results

1

One Stone, Two Birds: Using High Electric Fields to Enhance the Mobility and the Concentration of Point Defects in Ion-Conducting Solids.

Kemp D, De Souza RA. Kemp D, et al. Among authors: de souza ra. J Am Chem Soc. 2024 Feb 21;146(7):4783-4794. doi: 10.1021/jacs.3c12843. Epub 2024 Feb 12. J Am Chem Soc. 2024. PMID: 38344804 Free PMC article.

2

Recipes for superior ionic conductivities in thin-film ceria-based electrolytes.

Kemp D, Tarancón A, De Souza RA. Kemp D, et al. Among authors: de souza ra. Phys Chem Chem Phys. 2022 Jun 1;24(21):12926-12936. doi: 10.1039/d2cp01335e. Phys Chem Chem Phys. 2022. PMID: 35593679

3

Caution! Static Supercell Calculations of Defect Migration in Higher Symmetry ABX₃ Perovskite Halides May Be Unreliable: A Case Study of Methylammonium Lead Iodide.

De Souza RA, Kemp D, Wolf MJ, Ramadan AHH. De Souza RA, et al. J Phys Chem Lett. 2022 Dec 15;13(49):11363-11368. doi: 10.1021/acs.jpclett.2c02984. Epub 2022 Dec 1. J Phys Chem Lett. 2022. PMID: 36454641

4

A general expression for the statistical error in a diffusion coefficient obtained from a solid-state molecular-dynamics simulation.

Usler AL, Kemp D, Bonkowski A, De Souza RA. Usler AL, et al. Among authors: de souza ra. J Comput Chem. 2023 May 30;44(14):1347-1359. doi: 10.1002/jcc.27090. Epub 2023 Feb 22. J Comput Chem. 2023. PMID: 36811192

5

A Single Model for the Thermodynamics and Kinetics of Metal Exsolution from Perovskite Oxides.

Bonkowski A, Wolf MJ, Wu J, Parker SC, Klein A, De Souza RA. Bonkowski A, et al. Among authors: de souza ra. J Am Chem Soc. 2024 Aug 21;146(33):23012-23021. doi: 10.1021/jacs.4c03412. Epub 2024 Aug 8. J Am Chem Soc. 2024. PMID: 39116036 Free PMC article.

6

Complex behaviour of vacancy point-defects in SrRuO3 thin films.

Schraknepper H, Bäumer C, Dittmann R, De Souza RA. Schraknepper H, et al. Among authors: de souza ra. Phys Chem Chem Phys. 2015 Jan 14;17(2):1060-9. doi: 10.1039/c4cp03632h. Epub 2014 Nov 21. Phys Chem Chem Phys. 2015. PMID: 25413988

7

Oxygen diffusion in single crystal barium titanate.

Kessel M, De Souza RA, Martin M. Kessel M, et al. Among authors: de souza ra. Phys Chem Chem Phys. 2015 May 21;17(19):12587-97. doi: 10.1039/c5cp01187f. Phys Chem Chem Phys. 2015. PMID: 25899818

8

A SIMS study of cation and anion diffusion in tantalum oxide.

Gries UN, Schraknepper H, Skaja K, Gunkel F, Hoffmann-Eifert S, Waser R, De Souza RA. Gries UN, et al. Among authors: de souza ra. Phys Chem Chem Phys. 2018 Jan 3;20(2):989-996. doi: 10.1039/c7cp07441g. Phys Chem Chem Phys. 2018. PMID: 29234759

9

Iodide-ion conduction in methylammonium lead iodide perovskite: some extraordinary aspects.

De Souza RA, Barboni D. De Souza RA, et al. Chem Commun (Camb). 2019 Jan 25;55(8):1108-1111. doi: 10.1039/c8cc09236b. Epub 2019 Jan 9. Chem Commun (Camb). 2019. PMID: 30623964

10

The usefulness of molecular-dynamics simulations in clarifying the activation enthalpy of oxygen-vacancy migration in the perovskite oxide BaTiO₃.

Kaub J, Kler J, Parker SC, De Souza RA. Kaub J, et al. Among authors: de souza ra. Phys Chem Chem Phys. 2020 Mar 11;22(10):5413-5417. doi: 10.1039/c9cp06838d. Phys Chem Chem Phys. 2020. PMID: 32104813

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