Atomistic insights from DFT calculations into the catalytic properties on ceria-lanthanum clusters for methane activation (2024)
- Authors:
- USP affiliated authors: SILVA, JUAREZ LOPES FERREIRA DA - IQSC ; PERAÇA, CARINA DE SOUZA TEIXEIRA - IQSC ; BITTENCOURT, ALBERT FREDERICO BARBOSA - IQSC
- Unidade: IQSC
- DOI: 10.1063/5.0198986
- Subjects: CÉRIO; LANTÂNIO; METANO
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Source:
- Título: The Journal of Chemical Physics
- ISSN: 1089-7690
- Volume/Número/Paginação/Ano: v.160, p.244108-1, 2024
- Este periódico é de assinatura
- Este artigo NÃO é de acesso aberto
- Cor do Acesso Aberto: closed
-
ABNT
PERAÇA, Carina S. T. et al. Atomistic insights from DFT calculations into the catalytic properties on ceria-lanthanum clusters for methane activation. The Journal of Chemical Physics, v. 160, p. 244108-1, 2024Tradução . . Disponível em: https://doi.org/10.1063/5.0198986. Acesso em: 26 dez. 2025. -
APA
Peraça, C. S. T., Bittencourt, A. F. B., Bezerra, R. C., & Silva, J. L. F. da. (2024). Atomistic insights from DFT calculations into the catalytic properties on ceria-lanthanum clusters for methane activation. The Journal of Chemical Physics, 160, 244108-1. doi:10.1063/5.0198986 -
NLM
Peraça CST, Bittencourt AFB, Bezerra RC, Silva JLF da. Atomistic insights from DFT calculations into the catalytic properties on ceria-lanthanum clusters for methane activation [Internet]. The Journal of Chemical Physics. 2024 ;160 244108-1.[citado 2025 dez. 26 ] Available from: https://doi.org/10.1063/5.0198986 -
Vancouver
Peraça CST, Bittencourt AFB, Bezerra RC, Silva JLF da. Atomistic insights from DFT calculations into the catalytic properties on ceria-lanthanum clusters for methane activation [Internet]. The Journal of Chemical Physics. 2024 ;160 244108-1.[citado 2025 dez. 26 ] Available from: https://doi.org/10.1063/5.0198986 - Elucidating the catalytic valorization of ethanol over hydroxyapatite for sustainable butanol production: A first-principles mechanistic study
- Investigação Ab initio da Estrutura Molecular de Nanocatalisadores de Irídio
- Caracterização Ab Initio de Materiais do Tipo Apatita
- Influence of ion substitution on the properties of apatite-based materials: computational predictions using density functional theory
- Ab Initio Investigation of CH4 Dehydrogenation on a (CeO2)10 Cluster
- Single-atom catalysts on ceria substrates: Exploring cluster and surface effects on methane activation
- Exploring the adsorption properties of small molecules on CeZr-Based nanoclusters
- Caracterização Ab initio de Hidroxiapatitas Mono-, Bi- e Tri-Substituídas
- Theoretical Insights into Methane Activation on Transition-Metal Single-Atom Catalysts Supported on the CeO2(111) Surface
- Unveiling the impact of organic cation passivation on structural and optoelectronic properties of two-dimensional perovskites thin films
Informações sobre o DOI: 10.1063/5.0198986 (Fonte: oaDOI API)
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