Ab initio study for late steps of CO2 and CO electroreduction: from CHCO* toward C2 products on Cu and CuZn nanoclusters (2023)
- Authors:
- USP affiliated authors: SILVA, JUAREZ LOPES FERREIRA DA - IQSC ; RESTREPO, VIVIANNE KARINA OCAMPO - IQSC ; VERGA, LUCAS GARCIA - IQSC
- Unidade: IQSC
- DOI: 10.1039/D3CP03315E
- Subjects: ENERGIA; ELETRODO; ETANOL; DIÓXIDO DE CARBONO; COBRE
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Source:
- Título: Physical Chemistry Chemical Physics
- ISSN: 1463-9084
- Volume/Número/Paginação/Ano: v. 25, n. 48, p. 32931-32938, 2023
- Status:
- Artigo possui versão em acesso aberto em repositório (Green Open Access)
- Versão do Documento:
- Versão submetida (Pré-print)
- Acessar versão aberta:
-
ABNT
RESTREPO, Vivianne Karina Ocampo e VERGA, Lucas Garcia e SILVA, Juarez L. F. Da. Ab initio study for late steps of CO2 and CO electroreduction: from CHCO* toward C2 products on Cu and CuZn nanoclusters. Physical Chemistry Chemical Physics, v. 25, n. 48, p. 32931-32938, 2023Tradução . . Disponível em: https://doi.org/10.1039/D3CP03315E. Acesso em: 02 abr. 2026. -
APA
Restrepo, V. K. O., Verga, L. G., & Silva, J. L. F. D. (2023). Ab initio study for late steps of CO2 and CO electroreduction: from CHCO* toward C2 products on Cu and CuZn nanoclusters. Physical Chemistry Chemical Physics, 25( 48), 32931-32938. doi:10.1039/D3CP03315E -
NLM
Restrepo VKO, Verga LG, Silva JLFD. Ab initio study for late steps of CO2 and CO electroreduction: from CHCO* toward C2 products on Cu and CuZn nanoclusters [Internet]. Physical Chemistry Chemical Physics. 2023 ; 25( 48): 32931-32938.[citado 2026 abr. 02 ] Available from: https://doi.org/10.1039/D3CP03315E -
Vancouver
Restrepo VKO, Verga LG, Silva JLFD. Ab initio study for late steps of CO2 and CO electroreduction: from CHCO* toward C2 products on Cu and CuZn nanoclusters [Internet]. Physical Chemistry Chemical Physics. 2023 ; 25( 48): 32931-32938.[citado 2026 abr. 02 ] Available from: https://doi.org/10.1039/D3CP03315E - Ab Initio study of the C–O bond dissociation in CO2 reduction by redox and carboxyl routes on 3d transition metal systems
- 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
- Ab initio study of the adsorption properties of CO2 reduction intermediates: the effect of Ni5Ga3 alloy and the Ni5Ga3/ZrO2 interface
- Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters
- Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters
- The role of single-atom Rh-dopants in the adsorption properties of OH and CO on stepped Ag(211) surfaces
- The effects of near-surface atomic order on the catalytic properties of Cu3Au and CuAu3 intermetallics for the CO2 reduction reaction
- Computational screening of silver-based single-atom alloys catalysts for CO2 reduction
- Theoretical investigation of CO2 reduction on metallic nanoparticles
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