Unraveling the Orientation of MoS2 on TiO2 for Photocatalytic Water Splitting

被引：14

作者：

Tang, Chao ^{[1
]}

Xu, Weiwei ^{[1
]}

Chen, Chongyang ^{[1
]}

Li, Youyong ^{[1
]}

Xu, Lai ^{[1
]}

机构：

[1] Soochow Univ, Inst Funct Nano & Soft Mat FUNSOM, Jiangsu Key Lab Carbon Based Funct Mat & Devices, 199 Renai Rd, Suzhou 215123, Jiangsu, Peoples R China

来源：

ADVANCED MATERIALS INTERFACES | 2017年 / 4卷 / 16期

关键词：

2D materials; edge-on MoS2; heterostructures; photocatalytic water splitting; TiO2; H-2; EVOLUTION; HYDROGEN; NANOPARTICLES; ACTIVATION; GRAPHENE; OXYGEN;

D O I：

10.1002/admi.201700361

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The heterostructure of 2D material with different orientations and TiO2 has been proven to be a good candidate for photocatalytic water splitting. However, the detailed mechanism of the orientation of 2D materials with TiO2 has not been explored. Herein, different combinations of edge-on MoS2 or basal-on MoS2 with TiO2 are investigated systematically. The adsorption energy, the activation energy barrier, as well as the charge distribution reveal that edge-on heterostructures have better efficiency in the separation of photoelectron-hole pairs and can enhance the efficiency of hydrogen evolution reaction. This work studies the differences in mechanisms of edge-on and basal-on heterostructures in hydrogen evolution reactions. The simulated results provide significant theoretical foundation for the design of new materials.

引用

页数：6

共 40 条

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