First-Principles Studies on the Structural and Electronic Properties of As Clusters

Based on the genetic algorithm (GA) incorporated with density functional theory (DFT) calculations, the structural and electronic properties of neutral and charged arsenic clusters As(n) (n = 2–24) are investigated. The size-dependent physical properties of neutral clusters, such as the binding ener...

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Detalles Bibliográficos
Autores principales: Yan, Jialin, Xia, Jingjing, Zhang, Qinfang, Zhang, Binwen, Wang, Baolin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6163391/
https://www.ncbi.nlm.nih.gov/pubmed/30177623
http://dx.doi.org/10.3390/ma11091596

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6163391/
https://www.ncbi.nlm.nih.gov/pubmed/30177623
http://dx.doi.org/10.3390/ma11091596

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