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Semihydrogenated BN sheet: a promising visible-light driven photocatalyst for water splitting.
|Title||Semihydrogenated BN sheet: a promising visible-light driven photocatalyst for water splitting.|
|Publication Type||Journal Article|
|Year of Publication||2013|
|Authors||Li X, Zhao J, Yang J|
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.
|Alternate Journal||Sci Rep|