Ab initio study of the adsorption properties of CO2 reduction intermediates: the effect of Ni5Ga3 alloy and the Ni5Ga3/ZrO2 interface (2022)
- Authors:
- USP affiliated authors: SILVA, JUAREZ LOPES FERREIRA DA - IQSC ; SOUSA, RAFAEL ALVES DE - IQSC ; RESTREPO, VIVIANNE KARINA OCAMPO - IQSC ; VERGA, LUCAS GARCIA - IQSC
- Unidade: IQSC
- DOI: 10.1063/5.0091145
- Subjects: FÍSICO-QUÍMICA; ADSORÇÃO; REDUÇÃO; GÁS CARBÔNICO
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Source:
- Título: The Journal of Chemical Physics
- ISSN: 1089-7690
- Volume/Número/Paginação/Ano: v. 156, p. 214106, 2022
- Este periódico é de acesso aberto
- Este artigo NÃO é de acesso aberto
-
ABNT
SOUSA, Rafael A. De et al. Ab initio study of the adsorption properties of CO2 reduction intermediates: the effect of Ni5Ga3 alloy and the Ni5Ga3/ZrO2 interface. The Journal of Chemical Physics, v. 156, p. 214106, 2022Tradução . . Disponível em: https://doi.org/10.1063/5.0091145. Acesso em: 26 jan. 2026. -
APA
Sousa, R. A. D., Ocampo-Restrepo, V. K., Verga, L. G., & Silva, J. L. F. da. (2022). Ab initio study of the adsorption properties of CO2 reduction intermediates: the effect of Ni5Ga3 alloy and the Ni5Ga3/ZrO2 interface. The Journal of Chemical Physics, 156, 214106. doi:10.1063/5.0091145 -
NLM
Sousa RAD, Ocampo-Restrepo VK, Verga LG, Silva JLF da. Ab initio study of the adsorption properties of CO2 reduction intermediates: the effect of Ni5Ga3 alloy and the Ni5Ga3/ZrO2 interface [Internet]. The Journal of Chemical Physics. 2022 ; 156 214106.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1063/5.0091145 -
Vancouver
Sousa RAD, Ocampo-Restrepo VK, Verga LG, Silva JLF da. Ab initio study of the adsorption properties of CO2 reduction intermediates: the effect of Ni5Ga3 alloy and the Ni5Ga3/ZrO2 interface [Internet]. The Journal of Chemical Physics. 2022 ; 156 214106.[citado 2026 jan. 26 ] Available from: https://doi.org/10.1063/5.0091145 - Ab Initio study of the C–O bond dissociation in CO2 reduction by redox and carboxyl routes on 3d transition metal systems
- Ab initio study for late steps of CO2 and CO electroreduction: from CHCO* toward C2 products on Cu and CuZn nanoclusters
- Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters
- The role of site coordination on the CO2 electroreduction pathway on stepped and defective copper surfaces
- Exploring the adsorption site coordination as a strategy to tune copper catalysts for CO2 electro-reduction
- Insights into the alloy-support synergistic effects for the CO2 hydrogenation towards methanol on oxide-supported Ni5Ga3 catalysts: an experimental and DFT study
- Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters
- Theoretical investigation of CO2 reduction on metallic nanoparticles
- Ab Initio Investigation of CO2 Reduction on Stepped Ag Surfaces
- Computational screening of silver-based single-atom alloys catalysts for CO2 reduction
Informações sobre o DOI: 10.1063/5.0091145 (Fonte: oaDOI API)
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