Study of the GaAs/SiH van der Waals type-II heterostructure: a high efficiency photocatalyst promoted by a built-in electric field

Abstract

The built-in electric field promotes GaAs/SiH as a high efficiency photocatalyst for water splitting in visible light.

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

“…The Φ of the SiH and CdS monolayers agree with the previous study (5.147 eV for SiH). 56 Because SiH has a larger Φ than CdS, the Φ difference causes electrons to transfer from the CB of CdS to the CB of SiH and holes to accumulate on the VB of SiH, which agree with the charge density difference results. Charges will continue to flow between the layers until their Fermi levels equalize.…”

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

“…For instance, Han et al investigated type-II band alignment in the GaAs/SiH HTS using first principles calculations. 31 The results showed that the formation of the type-II GaAs/SiH HTS leads to an enhancement of the optical absorption in the visible light region. Zeng et al 29 constructed a novel SiH/CeO 2 (111) HTS and investigated its electronic and optical properties and photocatalytic performance.…”

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]…”

“…All these results are consistent with previous publications. [25,30,41,42] Electronic band structures for both monolayers are shown in Figure 1b,c,e,f, which were calculated with the aid of the PBE and HSE06 methods. In Figure 1b,c, it is shown that the GaN monolayer is an indirect-bandgap semiconductor, of which the conduction band minimum (CBM) is at Γ point and valence band maximum (VBM) is at K point.…”