Semihydrogenated BN Sheet: A Promising Visible-light Driven Photocatalyst for Water Splitting

被引：135

作者：

Li, Xingxing ^{[1
]}

Zhao, Jin ^{[1
]}

Yang, Jinlong ^{[1
]}

机构：

[1] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China

来源：

SCIENTIFIC REPORTS | 2013年 / 3卷

关键词：

HYDROGEN-PRODUCTION; DECOMPOSITION; NITRIDE;

D O I：

10.1038/srep01858

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

Based on first principles calculations, we predict semihydrogenated graphitic BN (sh-BN) sheet is a potential metal-free visible-light driven photocatalyst for water splitting. The ground state of sh-BN is a strip-like antiferromagnetic semiconductor with a band gap suitable for visible-light absorption. The redox potentials of water splitting are all located inside the band gap and the probability densities of valence and conduction bands are distributed apart spatially leading to a well-separation of photogenerated electrons and holes.

引用

页数：5

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