Prediction of High Photoconversion Efficiency and Photocatalytic Water Splitting in Vertically Stacked TMD Heterojunctions MX₂/WS₂ and MX₂/MoSe₂ (M = Cr, Mo, W; X= S, Se, Te)

Based on two-dimensional (2D) transition metal dichalcogenides (TMDs) exhibiting strong light-matter interactions and spin-valley locking properties, we construct two types of MX2/WS2 and MX2/MoSe2 (M=Cr, Mo, W, and X=S, Se,...