Adsorption and diffusion characteristics of lithium on hydrogenated α- and β-silicene

Using first-principles density functional theory calculations, we investigate adsorption properties and the diffusion mechanism of a Li atom on hydrogenated single-layer α- and β-silicene on a Ag(111) surface. It is found that a Li atom binds strongly on the surfaces of both α- and β-silicene, and i...

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Bibliographic Details
Main Authors: Fadil Iyikanat, Ali Kandemir, Cihan Bacaksiz, Hasan Sahin
Format: Article
Language:English
Published: Beilstein-Institut 2017-08-01
Series:Beilstein Journal of Nanotechnology
Subjects:
Online Access:https://doi.org/10.3762/bjnano.8.175