Ab initio investigation of the role of the d-states on the adsorption and activation properties of CO2 on 3d, 4d, and 5d transition-metal clusters (2022)
- Authors:
- USP affiliated authors: SILVA, JUAREZ LOPES FERREIRA DA - IQSC ; COLLACIQUE, MATHEUS NUNES - IQSC ; RESTREPO, VIVIANNE KARINA OCAMPO - IQSC
- Unidade: IQSC
- DOI: 10.1063/5.0085364
- Subjects: CLUSTERS; ADSORÇÃO
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Source:
- Título: The Journal of Chemical Physics
- ISSN: 1089-7690
- Volume/Número/Paginação/Ano: v.156, p. 124106-1, 2022
- Este periódico é de assinatura
- Este artigo é de acesso aberto
- URL de acesso aberto
- Cor do Acesso Aberto: bronze
-
ABNT
COLLACIQUE, Matheus N e RESTREPO, Vivianne k e SILVA, Juarez Lopes Ferreira da. Ab initio investigation of the role of the d-states on the adsorption and activation properties of CO2 on 3d, 4d, and 5d transition-metal clusters. The Journal of Chemical Physics, v. 156, p. 124106-1, 2022Tradução . . Disponível em: https://aip.scitation.org/doi/pdf/10.1063/5.0085364. Acesso em: 05 out. 2024. -
APA
Collacique, M. N., Restrepo, V. k, & Silva, J. L. F. da. (2022). Ab initio investigation of the role of the d-states on the adsorption and activation properties of CO2 on 3d, 4d, and 5d transition-metal clusters. The Journal of Chemical Physics, 156, 124106-1. doi:10.1063/5.0085364 -
NLM
Collacique MN, Restrepo V k, Silva JLF da. Ab initio investigation of the role of the d-states on the adsorption and activation properties of CO2 on 3d, 4d, and 5d transition-metal clusters [Internet]. The Journal of Chemical Physics. 2022 ;156 124106-1.[citado 2024 out. 05 ] Available from: https://aip.scitation.org/doi/pdf/10.1063/5.0085364 -
Vancouver
Collacique MN, Restrepo V k, Silva JLF da. Ab initio investigation of the role of the d-states on the adsorption and activation properties of CO2 on 3d, 4d, and 5d transition-metal clusters [Internet]. The Journal of Chemical Physics. 2022 ;156 124106-1.[citado 2024 out. 05 ] Available from: https://aip.scitation.org/doi/pdf/10.1063/5.0085364 - Investigação Ab initio dos Mecanismos de Adsorção de CO2 sobre Clusters de TM8 (TM = Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Os, Ir, Pt, Au)
- Estudo Ab Initio dos Mecanismos de Adsorção do CO 2 sobre Clusters de Fe 8
- Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters
- 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 Investigation of Quantum Size Effects on the Adsorption of CO2 , CO, H2O, and H2 on Transitionmetal Particles
- Ab Initio study of the C–O bond dissociation in CO2 reduction by redox and carboxyl routes on 3d transition metal systems
- Investigação Ab Initio da adsorção e redução de CO2 sobre partículas de tamanho finito de metais de transição 3d
- The role of site coordination on the CO2 electroreduction pathway on stepped and defective copper surfaces
- Ab initio study of the adsorption properties of CO2 reduction intermediates: the effect of Ni5Ga3 alloy and the Ni5Ga3/ZrO2 interface
- Exploring the adsorption site coordination as a strategy to tune copper catalysts for CO2 electro-reduction
Informações sobre o DOI: 10.1063/5.0085364 (Fonte: oaDOI API)
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