XSnS3 (X = Ga, In) monolayer semiconductors as photo-catalysts for water splitting: a first principles study

Author:

Naseri Mosayeb123ORCID,Salahub Dennis R.1ORCID,Vu Tuan V.4ORCID,Zakaryae Haman5ORCID

Affiliation:

1. Department of Chemistry, Department of Physics and Astronomy, CMS – Center for Molecular Simulation, IQST – Institute for Quantum Science and Technology, Quantum Alberta, University of Calgary, 2500 University Drive NW, Calgary, Alberta, T2N 1N4, Canada

2. Department of Physics, Kermanshah Branch, Islamic Azad University, Kermanshah, Iran

3. Division of Computational Physics, Institute for Computational Science, Ton Duc Thang University, Ho Chi Minh City, Vietnam

4. Faculty of Mechanical–Electrical and Computer Engineering, School of Engineering and Technology, Van Lang University, Ho Chi Minh City, Vietnam

5. Laboratoire de Physique des Matériaux et Modélisations des Systèmes, (LP2MS), Unité Associée au CNRST-URAC 08, Faculty of Sciences, Department of Physics, Moulay Ismail University, Meknes, Morocco

Abstract

Two new stable 2D monolayer semiconductors including 2D GaSnS3 and InSnS3 monolayers with moderate indirect band gaps, good absorption properties in the visible region and promise for water-splitting applications are predicted.

Funder

Natural Sciences and Engineering Research Council of Canada

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

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