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Ab Initio Calculations on the Structural and Electronic Properties of AgAu Alloys

[Image: see text] In our paper, we study the effects of pseudopotential and concentration of Au doping (0, 25, 50, 75, 100%) on the geometric structure and electronic structures of AgAu alloys. For this purpose, we use ab initio quantum calculations in the Material Studios software. The geometric st...

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Detalles Bibliográficos
Autores principales: Cao Long, Van, Duong Quoc, Van, Nguyen Trong, Dung
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7726940/
https://www.ncbi.nlm.nih.gov/pubmed/33324850
http://dx.doi.org/10.1021/acsomega.0c04941