International Journal of Hydrogen Energy, Vol.45, No.19, 11035-11039, 2020
Improved photo-electrochemical properties of strained SnO2
In the present study, the potential of strained SnO2 as a photo-catalyst for hydrogen evolution reaction is predicted using first principles calculation. It was found that tensile strain improves the absorption capability towards visible-light absorption (around 400 nm), increases its mobility which is a positive factor for photocatalysis, and finally improves the redox potential level of H+/H-2 with respect to the conduction band minimum. All these improvements make tensile strained-SnO2 a promising photocatalyst for hydrogen production. (C) 2018 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
Keywords:SnO2;Uniaxial strain;Density functional theory;Band structure modulation;Photocatalytic properties;Hydrogen production