Semihydrogenated BN Sheet: A Promising Visible-light Driven Photocatalyst for Water Splitting
Open Access
- 17 May 2013
- journal article
- research article
- Published by Springer Nature in Scientific Reports
- Vol. 3 (1) , srep01858
Abstract
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.Keywords
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