Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters (2021)
- Authors:
- USP affiliated authors: SILVA, JUAREZ LOPES FERREIRA DA - IQSC ; SOUSA, PRISCILLA FELÍCIO - IQSC ; ANDRIANI, KARLA FURTADO - IQSC
- Unidade: IQSC
- DOI: 10.1039/D0CP06091G
- Subjects: ADSORÇÃO; QUÍMICA TEÓRICA
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Source:
- Título: Physical Chemistry Chemical Physics
- ISSN: 1463-9084
- Volume/Número/Paginação/Ano: v. 23, p. 8739–8751, 2021
- Este periódico é de assinatura
- Este artigo NÃO é de acesso aberto
- Cor do Acesso Aberto: closed
-
ABNT
SOUSA, Priscilla Felício e ANDRIANI, Karla Furtado e SILVA, Juarez Lopes Ferreira da. Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters. Physical Chemistry Chemical Physics, v. 23, p. 8739–8751, 2021Tradução . . Disponível em: https://doi.org/10.1039/D0CP06091G. Acesso em: 27 dez. 2025. -
APA
Sousa, P. F., Andriani, K. F., & Silva, J. L. F. da. (2021). Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters. Physical Chemistry Chemical Physics, 23, 8739–8751. doi:10.1039/D0CP06091G -
NLM
Sousa PF, Andriani KF, Silva JLF da. Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 8739–8751.[citado 2025 dez. 27 ] Available from: https://doi.org/10.1039/D0CP06091G -
Vancouver
Sousa PF, Andriani KF, Silva JLF da. Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 8739–8751.[citado 2025 dez. 27 ] Available from: https://doi.org/10.1039/D0CP06091G - The quantum-size effects on the first dehydrogenation of CH4 on 3d TMn (TM = Fe, Co, Ni, Cu where n = 4 - 15) clusters: DFT combined with data mining
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Informações sobre o DOI: 10.1039/D0CP06091G (Fonte: oaDOI API)
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