The role of charge transfer in the oxidation state change of Ce atoms in the TM 13–CeO 2 (111) systems (TM= Pd, Ag, Pt, Au): a DFT+ U investigation P Tereshchuk, RLH Freire, CG Ungureanu, Y Seminovski, A Kiejna, ...
Physical Chemistry Chemical Physics 17 (20), 13520-13530, 2015
45 2015 Comparison of the performance of van der Waals dispersion functionals in the description of water and ethanol on transition metal surfaces RLH Freire, D Guedes-Sobrinho, A Kiejna, JLF Da Silva
The Journal of Physical Chemistry C 122 (3), 1577-1588, 2018
43 2018 Adsorption of Rh, Pd, Ir, and Pt on the Au (111) and Cu (111) surfaces: a density functional theory investigation RLH Freire, A Kiejna, JLF Da Silva
The Journal of Physical Chemistry C 118 (33), 19051-19061, 2014
43 2014 Adsorption of water and ethanol on noble and transition-metal substrates: a density functional investigation within van der Waals corrections RLH Freire, A Kiejna, JLF Da Silva
Physical Chemistry Chemical Physics 18 (42), 29526-29536, 2016
38 2016 The role of the CO adsorption on Pt monolayers supported on flat and stepped Au surfaces: a density functional investigation P Tereshchuk, RLH Freire, JLF Da Silva
RSC Advances 4 (18), 9247-9254, 2014
20 2014 Ab Initio Investigation of the Role of CO Adsorption on the Physical Properties of 55-Atom PtCo NanoalloysD Guedes-Sobrinho, RLH Freire, AS Chaves, JLF Da Silva
The Journal of Physical Chemistry C 121 (49), 27721-27732, 2017
15 2017 Vacancy localization effects on ab initio study RLH Freire, FC de Lima, A Fazzio
Physical Review Materials 6 (8), 084002, 2022
7 2022 Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experiment RLH Freire, MG Masteghin, JLF Da Silva, MO Orlandi
Computational Materials Science 170, 109160, 2019
6 2019 Correction to “Adsorption of Rh, Pd, Ir, and Pt on the Au (111) and Cu (111) Surfaces: A Density Functional Theory Investigation” RLH Freire, A Kiejna, JLF Da Silva
The Journal of Physical Chemistry C 119 (37), 21744-21744, 2015
6 2015 Uncovering the Structural Evolution of Arsenene on SiC Substrate AK Okazaki, R Furlan de Oliveira, RLH Freire, A Fazzio, F Crasto de Lima
The Journal of Physical Chemistry C 127 (16), 7894-7899, 2023
3 2023 Ab initio investigation of the role of charge transfer in the adsorption properties of H 2, N 2, O 2, CO, NO, CO 2, NO 2, and CH 4 on the van der Waals layered Sn 3 O 4 … RLH Freire, MO Orlandi, JLF Da Silva
Physical Review Materials 4 (10), 104002, 2020
3 2020 Síntese e propriedades físicas de filmes ferroelétricos do sistema PLZT RLH Freire
Universidade Estadual Paulista (Unesp), 2012
3 2012 Estudos de primeiros princípios da adsorção de água e de etanol sobre ligas de superfície de metais de transição sob efeitos de deformação expansiva e compressiva RLH Freire
Universidade de São Paulo, 2016
2 2016 Substrate suppression of oxidation process in pnictogen monolayers RLH Freire, FC de Lima, A Fazzio
Physical Chemistry Chemical Physics, 2024
1 2024 Role of Functional Thiolated Molecules on the Enhanced Electronic Transport of Interconnected MoS2 Nanostructures RLH Freire, F Crasto de Lima, RF Oliveira, RB Capaz, A Fazzio
The Journal of Physical Chemistry C 126 (29), 12159-12167, 2022
2022 Transition-metal clusters supported on the CeO2 (111) Surface: a density functional theory investigation P Tereshchuk, Y Seminovski, RLH Freire, MJ Piotrowski, A Kiejna, ...
Resumos, 2015
2015 Strain effects on properties of water and ethanol adsorbed on transition metal substrates RLH Freire, P Tereshchuk, JLF Silva
2014 The role of van der waals interactions in the adsorption of water, ethanol, and glycerol on transition-metal surfaces P Tereshchuk, RLH Freire, JLF Silva
Program Book, 2014
2014 Transition metals [Rh, Pd, Ir and Pt] adsorption on Cu (111) and Au (111) surfaces: a theorethical investigation RLH Freire, JLF Silva
Livro de resumos, 2014
2014 Investigação da estrutura atômica de superfícies de platina utilizando a teoria do funcional da densidade RLH Freire, JLF Silva
Livro de Resumos, 2012
2012 