Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 17, Issue 27, Pages 17816-17820Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5cp02255j
Keywords
-
Funding
- Japan Science and Technology Agency (JST) Precursory Research for Embryonic Science and Technology (PRESTO) program
- World Premier International Research Center Initiative on Materials Nanoarchitectonics (MANA), MEXT
Ask authors/readers for more resources
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.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available