High-efficiency photocatalyst for water splitting: A Janus MoSSe/XN (X = Ga, Al) van der Waals heterostructure
Journal
Journal of Physics D: Applied Physics
Journal Volume
53
Journal Issue
18
ISSN
00223727
Date Issued
2020
Author(s)
Abstract
Two-dimensional van der Waals (vdW) heterostructures were constructed using MoSSe and XN (X = Ga, Al) via density functional calculations to serve as water splitting photocatalysts. Both the MoSSe/GaN and MoSSe/AlN heterostructures are energetically, dynamically and thermally stable. Interestingly, they exhibited type-II band structures, indicating the ability to continuously separate photogenerated electrons and holes. They also have appropriate band edge positions for redox reaction potentials of water splitting at pH 0. Remarkably, the MoSSe/GaN vdW heterostructure possessed excellent carrier mobility for holes along both the transport directions. Besides, the charge transfer between the MoSSe and XN layers induced a strong built-in electric field, which further separated the photogenerated carriers. In addition, the MoSSe/GaN and MoSSe/AlN vdW heterostructures exhibit good optical absorption ability toward solar irradiation. All these excellent properties render the MoSSe/GaN and MoSSe/AlN heterostructures are high-efficiency photocatalysts for water splitting. © 2020 IOP Publishing Ltd.
Subjects
Janus transition metal dichalcogenides
Nitrides
photocatalysis
vdW heterostructure
Water splitting
SDGs
Publisher
Institute of Physics Publishing
Type
journal article