First principles study of strain effects on prospective 2D photocatalysts Sn₂Se₂X₄ (X = P, As) with ultra-high charge carrier mobility

Abstract

Ab initio calculations were employed to investigate the properties of Sn2Se2P4 and Sn2Se2As4, which are new semiconductors formed based on the 2D SnP3 structure. A comprehensive analysis was conducted to...