Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 120, Issue 13, Pages 7052-7060Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.6b01622
Keywords
-
Funding
- Council of Scientific and Industrial Research [CSIR], New Delhi [01(2723)/13/EMR(II)]
- MHRD
- UGC
Ask authors/readers for more resources
Two-dimensional (2D) stable CdS monolayer sheets are proposed using the state-of-the-art theoretical calculations. Three different conformers (planar, distorted, and buckled) are predicted which are separated by low energy barriers. These monolayer sheets are not only thermodynamically, mechanically, and dynamically stable but also can withstand temperature as high as 1000 K. Band edge alignment of these monolayer sheets and bulk CdS is done with respect to the water oxidation and reduction potential to evaluate their photocatalytic activities. Here we show a planar CdS monolayer sheet is the most promising material for visible light photocatalysis and can be used for electronic and optoelectronic devices.
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