Role of quantum-size effects in the dehydrogenation of CH4 on 3d TMn clusters: DFT calculations combined with data mining-Reference-Cited by-同舟云学术

Role of quantum-size effects in the dehydrogenation of CH4 on 3d TMn clusters: DFT calculations combined with data mining

Author:

Andriani Karla F.¹^ORCID,Felício-Sousa Priscilla¹^ORCID,Morais Felipe Orlando²^ORCID,Da Silva Juarez L. F.¹^ORCID

Affiliation:

1. São Carlos Institute of Chemistry, University of São Paulo, P.O. Box 780, 13560-970, São Carlos, SP, Brazil

2. São Carlos Institute of Physics, University of São Paulo, P.O. Box 400, 13566-590, São Carlos, SP, Brazil

Abstract

Adsorption modes identified by clustering algorithms for CH4 adsorption on TMn clusters.

Funder

Fundação de Amparo à Pesquisa do Estado de São Paulo

Agência Nacional do Petróleo, Gás Natural e Biocombustíveis

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

Link

Reference57 articles.

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