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Semihydrogenated BN sheet: a promising visible-light driven photocatalyst for water splitting.

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.

SUBMITTER: Li X

PROVIDER: S-EPMC3656388 | biostudies-other | 2013

REPOSITORIES: biostudies-other

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