期刊
CHEMPHYSCHEM
卷 17, 期 13, 页码 2100-2104出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cphc.201600209
关键词
density functional calculations; graphitic carbon nitride; layered compounds; photochemistry; water splitting
资金
- National Key Basic Research Program [2011CB921404]
- NSFC [21421063, 91021004, 21233007]
- Chinese Academy of Sciences (CAS) [XDB01020300]
- USTCSCC, SCCAS, Tianjin
- Shanghai Supercomputer Centers
Water-splitting photocatalysts with good energy efficiency are highly desirable, among which metal-free graphitic carbon nitride (g-C3N4) is considered to be very promising and has been intensively studied in recent years. However, its practical application is hindered by the relatively low efficiencies of visible-light absorption and electron-hole separation. Herein, based on first-principles calculations, it is predicted that, by forming nanocomposites with another carbon nitride (C2N), the energy efficiency of g-C3N4 can be significantly improved. On one hand, C2N has a wide, strong optical absorption in the visible-light region, which acts as a photosensitizer and enhances the photoabsorption efficiency of the composite photocatalyst. On the other hand, C2N forms a type II heterojunction with g-C3N4, which leads to efficient separation of photogenerated electron-hole pairs through the chemical potential difference between the two components. These results provide a potential route to achieve highly efficient metal-free photocatalysts for water splitting.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据