Adsorption of CO, NO, and H2 on the PdnAu55–n Nanoclusters: A Density Functional Theory Investigation within the van der Waals D3 Corrections
Author:
Affiliation:
1. Department of Physics, Federal University of Pelotas, PO Box 354, 96010-900 Pelotas, Rio Grande do Sul, Brazil
2. São Carlos Institute of Chemistry, University of São Paulo, PO Box 780, 13560-970 São Carlos, São Paulo, Brazil
Funder
Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior
Shell
Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo
Funda??o de Amparo ? Pesquisa do Estado do Rio Grande do Sul
Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico
Ag?ncia Nacional do Petr?leo, G?s Natural e Biocombust?veis
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.8b12219
Reference63 articles.
1. The relevance of shape and size of Au55 clusters
2. Bimetallic nanoparticles—novel materials for chemical and physical applications
3. Nanoalloys: From Theory to Applications of Alloy Clusters and Nanoparticles
4. Interaction between NO and Na, O, S, Cl on Au and Pd(111) surfaces
5. Adsorption of NO on the Rh13, Pd13, Ir13, and Pt13 Clusters: A Density Functional Theory Investigation
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