Title:	Ultrathin nanostructures for Renewable Energy Production
DNr:	SNIC 2016/1-156
Project Type:	SNIC Medium Compute
Principal Investigator:	Sudip Chakraborty <sudiphys@gmail.com>
Affiliation:	Uppsala universitet
Duration:	2016-04-01 – 2017-04-01
Classification:	10304 10403 10407
Homepage:	http://www.sudipchakraborty.net/
Keywords:

Abstract

The proposal aims at cutting edge computational high throughput and systematic investigation to predict the enhanced water splitting activity of recently synthesized semiconducting materials MX2 (where M= Ti, Hf, Zr and X=S, Se, Te), hydrogenated Silicene, Stanene and Phosphorene from the band edge alignment concept. The real catalytic mechanism of water dissociation is hydrogen evolution reaction and oxygen evolution reaction,which will also be envisaged for specific photocatalysts after screened through the high throughput study. The idea of such engineering is to utilize the visible sunlight as much as possible and to decrease the fast recombination of photogenerated electrons and holes. The abundance of water and availability of sunlight strongly encourage the photocatalytic water decomposition mechanism.