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

TitleSemihydrogenated BN sheet: a promising visible-light driven photocatalyst for water splitting.
Publication TypeJournal Article
Year of Publication2013
AuthorsLi X, Zhao J, Yang J
JournalScientific reports
Volume3
Pagination1858
Date Published2013
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.

DOI10.1007/s00264-013-1920-7
Alternate JournalSci Rep