A Detailed Theoretical Study of Cu3Agm Bimetallic Clusters

A Detailed Theoretical Study of Cu3Agm Bimetallic Clusters

In this work, we explored the energy landscape and the effect of increasing the amount of Ag atoms over the segregation of Cu atoms in bimetallic clusters with compositions Cu3Agm (), using a genetic algorithm coupled with the Gupta potential to determine the most stable clusters. According to our...

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Bibliographic Details
Main Authors: Francinaldo dos Santos Leite, Augusto César Azevedo Silva, Caio Vinícius Caetano, Adilson Luís Pereira Silva, Jaldyr de Jesus Gomes Varela Júnior
Format: Article
Language:English
Published: Universidade Federal de Mato Grosso do Sul 2021-07-01
Series:Orbital: The Electronic Journal of Chemistry
Subjects:
Copper
DFT
Genetic algorithm
Silver
Metallic cluster
Online Access:https://periodicos.ufms.br/index.php/orbital/article/view/15595

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