Publications
Computational Study of Oxygen Evolution Reaction on Flat and Stepped Surfaces of Strontium Titanate
Catalysis Today, 114609
Sokolov, M., Mastrikov, Y. A., Bocharov, D., Krasnenko, V., Zvejnieks, G., Exner, K. S., & Kotomin, E. A. (2024).
https://www.sciencedirect.com/science/article/abs/pii/S0920586124001032?dgcid=coauthor
Modeling photo-generated charge extraction in bulk heterojunction nanoparticles
2024, 20, 1651-1656
Soft Matter
December 2023 Nigel Clarke ORCID logoa and Gavin A. Buxton b
Advanced theory and simulations
Volume 6, Issue 10
Special Issue: Computational Materials Science
October 2023 Issue Edited by: Michele Pavone, Maytal Caspary Toroker
Editorial for the Special Issue on “Computational Materials Science”
Maytal Caspary Toroker, Michele Pavone
First published: 10 October 2023
Modeling of the Lattice Dynamics in Strontium Titanate Films of Various Thicknesses: Raman Scattering Studies
Krasnenko, V., Platonenko, A., Liivand, A., Rusevich, L. L., Mastrikov, Y. A., Zvejnieks, G., … & Kotomin, E. A. (2023). Modeling of the Lattice Dynamics in Strontium Titanate Films of Various Thicknesses: Raman Scattering Studies.
Materials, 16(18), 6207.
Modelling crystallization: When the normal growth velocity depends on the supersaturation
V.V. Ivanov, C. Tielemann, K. Avramova, S. Reinsch, V. Tonchev (2023). Modelling crystallization: When the normal growth velocity depends on the supersaturation.
Journal of Physics and Chemistry of Solids, PCS 111542.
https://www.sciencedirect.com/science/article/pii/S0022369723003323
First Principles Calculations of Hydrogen Evolution Reaction and Proton Migration on Stepped Surfaces of SrTiO3
Sokolov, M., Mastrikov, Y. A., Zvejnieks, G., Bocharov, D., Krasnenko, V., Exner, K. S., & Kotomin, E. A. (2023). First Principles Calculations of Hydrogen Evolution Reaction and Proton Migration on Stepped Surfaces of SrTiO3.
Advanced Theory and Simulations, 2200619.
Water Splitting on Multifaceted SrTiO3 Nanocrystals: Calculations of Raman Vibrational Spectrum
Veera Krasnenko, Leonid L. Rusevich, Aleksander Platonenko, Yuri A. Mastrikov, Maksim Sokolov, Eugene A. Kotomin
Academic Editors: Stefano Caporali and Emanuele Galvanetto
Materials2022, 15(12), 4233
Toward Ambitious Multiscale Modeling of Nanocrystal Catalysts for Water Splitting
Michele Pavone, Maytal Caspary Toroker
ACS Energy Lett. 2020, 5, 6, 2042–2044
DOI : https://pubs.acs.org/doi/full/10.1021/acsenergylett.0c01086
Challenges of modeling nanostructured materials for photocatalytic water splitting
Bipasa Samanta, Ángel Morales-García, Francesc Illas, Nicolae Goga, Juan Antonio Anta, Sofia Calero, Anja Bieberle-Hütter , Florian Libisch, Ana B. Muñoz-García, Michele Pavone and Maytal Caspary Toroker
Chem. Soc. Rev., 2022, 51, 3794-3818