The InSe/SiH type-II van der Waals heterostructure as a promising water splitting photocatalyst: a first-principles study

Abstract

Photocatalytic water splitting for hydrogen production has attracted increasing research attention in recent years, great efforts have been made in order to find the ideal photocatalyst. In this work, we...

Electric field tunability of the electronic properties and contact types in the MoS2/SiH heterostructure

“…These values are in good agreement with the previous reports. 26,29,[45][46][47] The band structures of MoS 2 and SiH monolayers obtained by the PBE and HSE functionals are depicted in Fig. 1(b), (c), (f) and (g).…”

Effect of van der Waals stacking in CdS monolayer on enhancing the hydrogen production efficiency of SiH monolayer

“…51,52 Consequently, when a type II heterostructure is formed, the built-in electric field increases the spatial separation of charge carriers in the two separate 2D materials, increasing the photocatalytic quantum efficiency. 53,54 To boost the photocatalytic performance of a 2D SiH layer, it was proven that SiH-based vdW type II heterostructures, such as SiH/TiO 2 , 55 GaAs/SiH, 56 InSe/SiH 57 and PtSe 2 /SiH, 15 which have been theoretically predicted to be excellent photocatalytic materials, can split water into H 2 under solar irradiation. CdS-Based vdWs heterostructures exhibit super-high piezoelectricity, which have potential for the fabrication of 2D excitonic solar cells.…”

Electronic and Optical Properties of the Type‐II GaN/SiH van der Waals Heterostructure: A First‐Principles Study

“…All of these results are in good agreement with the published results for the same levels. [23,25,26,31,43]…”

“…[ 28 ] Moreover, Low et al found that a SiH n‐MOSFET offers a relatively better ON‐current performance than transistors made of the germanane and 2D TMD materials. [ 29 ] Furthermore, the related SiH‐based heterostructures, such as PtSe 2 /SiH, [ 30 ] InSe/SiH, [ 31 ] graphene/SiH, and fully hydrogenated hexagonal boron nitride (fhBN)/SiH, [ 32 ] have been reported. It is also found that these heterostructures exhibit main absorption of visible light.…”