Using density functional theory calculations, we systematically investigated the fat band structures and Schottky barriers of 72 van der Waals heterojunctions (vdWHs) formed by combining 1T-phase transition metal dichalcogenides (TMDs) (MX 2 , M = Mo, W; X = S, Se, Te) with 2H-phase Janus TMDs (MXY, M = Mo, W; X, Y = S, Se, Te). Unlike conventional TMDs, Janus TMDs lack mirror symmetry and exhibit a built-in in-plane dipole due to their asymmetric atomic configuration. A larger electronegativity gradient across the Janus TMDs leads to e...
