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Updated: Jul 5, 2025

Developing Photosensitizer-Cobaloxime Hybrids for Solar-Driven H2 Production in Aqueous Aerobic Conditions
Published on: October 5, 2019
A bicomponent synergistic MoW1-S2/aluminum nitride vdW heterojunction for enhanced photocatalytic hydrogen evolution:
Liang Xu1,2,3, Can Li1, S X Xiong1
1Nanchang Key Laboratory for Advanced Manufacturing of Electronic Information Materials and Devices, School of Energy and Mechanical Engineering, Jiangxi University of Science and Technology, Nanchang 330013, China. liangxu@hnu.edu.cn.
Abstract:
The coupling of two-dimensional van der Waals heterojunctions is an effective way to achieve photocatalytic hydrogen production. This paper designs the MoW1-S2/AlN (x = 0, 0.25, 0.5, 0.75, 1) van der Waals heterojunction as a possible photocatalytic material. By using first-principles calculations, the effects of different Mo/W ratios on the band gap and photocatalytic hydrogen production performance of heterojunctions were investigated. The results show that the heterojunction is a direct Z-scheme photocatalyst and can achieve overall water splitting. By calculating the absorption spectrum, it is found that the heterojunction has a wider visible light absorption range when the bimetal is added, and there is still a strong absorption peak at 615 nm. With the increase of the Mo atom ratio, the absorption spectrum is red-shifted. The Gibbs free energy of the two-component Mo0.5W0.5S2/AlN heterojunction is only -0.028 eV. Our work provides a new perspective for the modification of 2D transition metal dichalcogenide photocatalytic heterojunctions.
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