Improved photo-electrochemical properties of strained SnO2. (3rd April 2020)

• Record Type: Journal Article
• Authors: Kerrami, Zineb; Sibari, Anass; Mounkachi, Omar; Benyoussef, Abdelilah; Benaissa, Mohammed
• Is Part Of: International journal of hydrogen energy. Volume 45:Number 19(2020)
• Page Start: 11035
• Page End: 11039
• Publication Date: 2020-04-03
• Subjects: SnO2 -- Uniaxial strain -- Density functional theory -- Band structure modulation -- Photocatalytic properties -- Hydrogen production; Hydrogen as fuel -- Periodicals; Hydrogène (Combustible) -- Périodiques; Hydrogen as fuel; Periodicals; 665.81
• DOI: 10.1016/j.ijhydene.2018.03.199
• Languages: English
• ISSNs: 0360-3199

Abstract

Abstract: 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 + /H2 with respect to the conduction band minimum. All these improvements make tensile strained-SnO2 a promising photocatalyst for hydrogen production. Highlights: Investigation of the electronic and electrochemical properties of Strained-SnO2 . Enhanced redox potential for hydrogen reduction of SnO2 under compressive strain and tensile strain for pH = 10 (or more). Enhanced photo-electrochemical properties of tensile strained-SnO2 for H2 production applications.