Intriguing interfacial characteristics of the CS contact with MX₂ (M = Mo, W; X = S, Se, Te) and MXY ((X ≠ Y) = S, Se, Te) monolayers

Abstract

Electronic band structure, type of Schottky contact and Schottky barrier height established at the interface of the CS–MX2 (M = Mo, W; X = S, Se, Te) and CS–MXY ((X ≠ Y) = S, Se, Te) MS vdWH.

Rational design of 2D/2D CS/SiC van der Waals type-II heterojunctions: a visible-light-driven photocatalyst for hydrogen production

“…41 The planar, buckling and puckered structures are three different possible geometrical configurations for each of these 2D binary monolayers. 42 The favoured hybridization in group V monolayers (arsenene and phosphorene) is sp 3 , but the hexagonal planar structure favours sp 2 , showing that the hybridization in group IV-VI binary monolayers is comparable to that of arsenene and phosphorene. 42 Due to the intense overlap of the conduction and valence bands, it has been found that CS monolayers in the planar configuration are metallic.…”

“…42 The favoured hybridization in group V monolayers (arsenene and phosphorene) is sp 3 , but the hexagonal planar structure favours sp 2 , showing that the hybridization in group IV-VI binary monolayers is comparable to that of arsenene and phosphorene. 42 Due to the intense overlap of the conduction and valence bands, it has been found that CS monolayers in the planar configuration are metallic. 40 Inspired by these, carbon sulphide (CS) was predicted to show high efficient photocatalysts for water splitting with high carrier mobility (3.23 × 10 4 cm 2 V −1 s −1 ) and moderate band gap (2.41 eV), comparable to those of other newly reported 2D photocatalysts.…”