Single-layer MoS2 as an efficient photocatalyst

被引：277

作者：

Li, Yunguo ^{[1
,2
]}

Li, Yan-Ling ^{[2
,3
]}

Araujo, Carlos Moyses ^{[2
]}

Luo, Wei ^{[2
]}

Ahuja, Rajeev ^{[1
,2
]}

机构：

[1] Royal Inst Technol KTH, Dept Mat Sci & Engn, S-10044 Stockholm, Sweden

[2] Uppsala Univ, Dept Phys & Astron, Condensed Matter Theory Grp, S-75120 Uppsala, Sweden

[3] Jiangsu Normal Univ, Sch Phys & Elect Engn, Xuzhou 221116, Peoples R China

来源：

CATALYSIS SCIENCE & TECHNOLOGY | 2013年 / 3卷 / 09期

基金：

美国国家科学基金会; 瑞典研究理事会;

关键词：

TOTAL-ENERGY CALCULATIONS; VALLEY POLARIZATION; ABSORPTION; GRAPHENE; SPECTRA; STRAIN; WATER;

D O I：

10.1039/c3cy00207a

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The potential application of the single-layer MoS2 as a photocatalyst was revealed based on first-principles calculations. It is found that the pristine single-layer MoS2 is a good candidate for hydrogen production, and its catalysing ability can be tuned by the applied mechanical strain. Furthermore, the p-type doping could make the single layer a good photocatalyst for the overall water splitting.

引用

页码：2214 / 2220

页数：7

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