Roger A De Souza (R A De Souza, Roger De Souza)

Publication Activity (10 Years)

Years Active: 2013-2024
Publications (10 Years): 24

Top Topics

Molecular Dynamics Simulations

High Efficiency

Top Venues

Journal of the American Chemical Society

Physical chemistry chemical physics : PCCP

Nature materials

The journal of physical chemistry letters

This page only lists publications with an associated author ORCID identifier.

Publications

Alexander Bonkowski, Matthew J Wolf, Ji Wu, Stephen C Parker, Andreas Klein, Roger A De Souza
A Single Model for the Thermodynamics and Kinetics of Metal Exsolution from Perovskite Oxides. Journal of the American Chemical Society 146 (33) (2024)
Dennis Kemp, Roger A De Souza
One Stone, Two Birds: Using High Electric Fields to Enhance the Mobility and the Concentration of Point Defects in Ion-Conducting Solids. Journal of the American Chemical Society 146 (7) (2024)
Alexander Bonkowski, Matthew J Wolf, Ji Wu, Stephen C Parker, Andreas Klein, Roger A De Souza
A Single Model for the Thermodynamics and Kinetics of Metal Exsolution from Perovskite Oxides. Journal of the American Chemical Society (2024)
Alexander Bonkowski, Matthew J Wolf, Ji Wu, Stephen C Parker, Andreas Klein, Roger A De Souza
A Single Model for the Thermodynamics and Kinetics of Metal Exsolution from Perovskite Oxides. Journal of the American Chemical Society 146 (33) (2024)
Dennis Kemp, Roger A De Souza
One Stone, Two Birds: Using High Electric Fields to Enhance the Mobility and the Concentration of Point Defects in Ion-Conducting Solids. Journal of the American Chemical Society (2024)
Dennis Kemp, Roger A De Souza
One Stone, Two Birds: Using High Electric Fields to Enhance the Mobility and the Concentration of Point Defects in Ion-Conducting Solids. Journal of the American Chemical Society 146 (7) (2024)
Alexander Bonkowski, Matthew J Wolf, Ji Wu, Stephen C Parker, Andreas Klein, Roger A De Souza
A Single Model for the Thermodynamics and Kinetics of Metal Exsolution from Perovskite Oxides. Journal of the American Chemical Society 146 (33) (2024)
Adrian L Usler, F Ketter, Roger A De Souza
How space-charge behaviour at grain boundaries in electroceramic oxides is modified by two restricted equilibria. Physical chemistry chemical physics : PCCP 26 (10) (2024)
Adrian L Usler, F Ketter, Roger A De Souza
How space-charge behaviour at grain boundaries in electroceramic oxides is modified by two restricted equilibria. Physical chemistry chemical physics : PCCP (2024)
Dennis Kemp, Roger A De Souza
One Stone, Two Birds: Using High Electric Fields to Enhance the Mobility and the Concentration of Point Defects in Ion-Conducting Solids. Journal of the American Chemical Society 146 (7) (2024)
Adrian L Usler, Dennis Kemp, Alexander Bonkowski, Roger A De Souza
A general expression for the statistical error in a diffusion coefficient obtained from a solid-state molecular-dynamics simulation. Journal of computational chemistry (2023)
Roger A De Souza, George F Harrington
Revisiting point defects in ionic solids and semiconductors. Nature materials (2023)
Roger A De Souza, George F Harrington
Revisiting point defects in ionic solids and semiconductors. Nature materials 22 (7) (2023)
Adrian L Usler, Dennis Kemp, Alexander Bonkowski, Roger A De Souza
A general expression for the statistical error in a diffusion coefficient obtained from a solid-state molecular-dynamics simulation. Journal of computational chemistry (2023)
Joe Kler, Roger A De Souza
Hydration Entropy and Enthalpy of a Perovskite Oxide from Oxygen Tracer Diffusion Experiments. The journal of physical chemistry letters 13 (18) (2022)
Dennis Kemp, Albert Tarancón, Roger A De Souza
Recipes for superior ionic conductivities in thin-film ceria-based electrolytes. Physical chemistry chemical physics : PCCP 24 (21) (2022)
Roger A De Souza, Dennis Kemp, Matthew J Wolf, Amr H H Ramadan
Caution! Static Supercell Calculations of Defect Migration in Higher Symmetry ABX 3 Perovskite Halides May Be Unreliable: A Case Study of Methylammonium Lead Iodide. The journal of physical chemistry letters (2022)
Hans F Wardenga, Katharina N S Schuldt, Stephan Waldow, Roger A De Souza, Andreas Klein
Surface potentials of acceptor- and donor-doped CeO 2 thin films and their relation to oxygen surface exchange. Physical chemistry chemical physics : PCCP 24 (2) (2022)
Roger A De Souza, David N Mueller
Electrochemical methods for determining ionic charge in solids. Nature materials 20 (4) (2021)
Stephan P Waldow, Benjamin J Statham, Hans F Wardenga, Thomas E Weirich, Andreas Klein, Roger A De Souza
Oxygen Surface Exchange and Tracer Diffusion in Differently Oriented Thin Films of Gd-Doped CeO2. ACS applied materials & interfaces 12 (32) (2020)
Roger A De Souza, Denis Barboni
Iodide-ion conduction in methylammonium lead iodide perovskite: some extraordinary aspects. Chemical communications (Cambridge, England) 55 (8) (2019)
J P Parras, Annalena R Genreith-Schriever, Haiwu Zhang, Matthias T Elm, Truls Norby, Roger A De Souza
Is ReO3 a mixed ionic-electronic conductor? A DFT study of defect formation and migration in a BVIO3 perovskite-type oxide. Physical chemistry chemical physics : PCCP 20 (12) (2018)
Veronika Metlenko, WooChul Jung, Sean R Bishop, Harry L Tuller, Roger A De Souza
Oxygen diffusion and surface exchange in the mixed conducting oxides SrTi1-yFeyO3-δ. Physical chemistry chemical physics : PCCP 18 (42) (2018)
Alexander F Zurhelle, Xiaorui Tong, Andreas Klein, David S Mebane, Roger A De Souza
A Space-Charge Treatment of the Increased Concentration of Reactive Species at the Surface of a Ceria Solid Solution. Angewandte Chemie (International ed. in English) 56 (46) (2017)
Ming Li, Martha J Pietrowski, Roger A De Souza, Huairuo Zhang, Ian M Reaney, Stuart N Cook, John A Kilner, Derek C Sinclair
A family of oxide ion conductors based on the ferroelectric perovskite Na0.5Bi0.5TiO3. Nature materials 13 (1) (2013)