Band gap engineering of bulk and nanosheet SnO: an insight into the interlayer Sn-Sn lone pair interactions.
Phys Chem Chem Phys
; 17(27): 17816-20, 2015 Jul 21.
Article
en En
| MEDLINE
| ID: mdl-26088037
The effects of interlayer lone-pair interactions on the electronic structure of SnO are explored using density-functional theory. Our comprehensive study reveals that the band gap of SnO opens with the increase in the interlayer Sn-Sn distance. The effect is rationalized by the character of band edges which consist of bonding and anti-bonding states from interlayer lone pair interactions. The band edges for several nanosheets and strained double-layer SnO are estimated. We conclude that the double-layer SnO is a promising material for visible-light driven photocatalysts for hydrogen evolution.
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1
Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
Phys Chem Chem Phys
Asunto de la revista:
BIOFISICA
/
QUIMICA
Año:
2015
Tipo del documento:
Article
Pais de publicación:
Reino Unido