Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters (2020)
- Authors:
- USP affiliated authors: SILVA, JUAREZ LOPES FERREIRA DA - IQSC ; BESSE, LARISSA ZIBORDI - IQSC ; VERGA, LUCAS GARCIA - IQSC ; RESTREPO, VIVIANNE KARINA OCAMPO - IQSC
- Unidade: IQSC
- DOI: 10.1039/D0CP00584C
- Assunto: CLUSTERS
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Source:
- Título: Physical Chemistry Chemical Physics - PCCP
- ISSN: 1463-9076
- Volume/Número/Paginação/Ano: v.22, p. 8067-8076 Mar 2020
- Status:
- Artigo possui versão em acesso aberto em repositório (Green Open Access)
- Versão do Documento:
- Versão submetida (Pré-print)
- Acessar versão aberta:
-
ABNT
BESSE, Larissa Zibordi et al. Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters. Physical Chemistry Chemical Physics - PCCP, v. 22, p. 8067-8076 Mar 2020, 2020Tradução . . Disponível em: https://doi.org/10.1039/D0CP00584C. Acesso em: 08 abr. 2026. -
APA
Besse, L. Z., Verga, L. G., Restrepo, V. k, & Silva, J. L. F. da. (2020). Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters. Physical Chemistry Chemical Physics - PCCP, 22, 8067-8076 Mar 2020. doi:10.1039/D0CP00584C -
NLM
Besse LZ, Verga LG, Restrepo V k, Silva JLF da. Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ;22 8067-8076 Mar 2020.[citado 2026 abr. 08 ] Available from: https://doi.org/10.1039/D0CP00584C -
Vancouver
Besse LZ, Verga LG, Restrepo V k, Silva JLF da. Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ;22 8067-8076 Mar 2020.[citado 2026 abr. 08 ] Available from: https://doi.org/10.1039/D0CP00584C - Ab initio investigation of the atomistic descriptors in the activation of small molecules on 3d transition-metal 13-atom clusters: The example of H2, CO, H2O, and CO2
- 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
- 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 CO2 Adsorption on 13-Atom 4d Clusters
- Computational screening of silver-based single-atom alloys catalysts for CO2 reduction
- Theoretical investigation of CO2 reduction on metallic nanoparticles
- Ab Initio Investigation of CO2 Reduction on Stepped Ag Surfaces
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