Metal-free Janus α- and β-SiCP₄: designing stable and efficient two-dimensional semiconductors for water splitting

Abstract

Two-dimensional (2D) semiconductors exhibit exceptional potential in the field of photocatalytic water splitting due to their unique structural characteristics and photoelectric properties. In this study, based on the first-principles theory,...

First-principles studies on the electronic and photocatalytic water splitting properties of surface functionalized Y2C-based MXenes

“…Recently, lots of 2D Janus materials have been predicted to possess high photocatalytic efficiency for water splitting. 29,39–43 For example, Fu et al theoretically investigated the characteristics of 2D M 2 X 3 (M = Al, Ga, In; X = S, Se, Te) for photocatalytic water splitting. 29 All the studied systems are promising photocatalysts for photocatalytic water splitting and moreover, the calculated STH efficiencies of Al 2 Te 3 , Ga 2 Se 3 , Ga 2 Te 3 (with 3% strain), In 2 Se 3 , and In 2 Te 3 are lager than 18%.…”