A first-principles study of the stability and structural, optical, and thermodynamic properties of hydrogenated silicene
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Computational Electronics"
DOI: 10.1007/s10825-020-01487-5
Abstract: The structural, electronic, optical, and thermodynamic properties of hydrogenated silicene (silicane) in three stable structures, viz. chair (C), boat (B), and tricycle (T), are studied using first-principles calculations. The band structure and density of states… read more here.
Keywords: thermodynamic properties; hydrogenated silicene; properties hydrogenated; optical thermodynamic ... See more keywords
Adsorption and diffusion characteristics of lithium on hydrogenated α- and β-silicene
Sign Up to like & getrecommendations! Published in 2017 at "Beilstein Journal of Nanotechnology"
DOI: 10.3762/bjnano.8.175
Abstract: 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… read more here.
Keywords: diffusion; hydrogenated silicene; characteristics lithium; adsorption diffusion ... See more keywords