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

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 absorp...

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Autores principales: Li, Xingxing, Zhao, Jin, Yang, Jinlong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2013
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3656388/
https://www.ncbi.nlm.nih.gov/pubmed/23681171
http://dx.doi.org/10.1038/srep01858
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author Li, Xingxing
Zhao, Jin
Yang, Jinlong
author_facet Li, Xingxing
Zhao, Jin
Yang, Jinlong
author_sort Li, Xingxing
collection PubMed
description 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.
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spelling pubmed-36563882013-05-20 Semihydrogenated BN Sheet: A Promising Visible-light Driven Photocatalyst for Water Splitting Li, Xingxing Zhao, Jin Yang, Jinlong Sci Rep Article 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. Nature Publishing Group 2013-05-17 /pmc/articles/PMC3656388/ /pubmed/23681171 http://dx.doi.org/10.1038/srep01858 Text en Copyright © 2013, Macmillan Publishers Limited. All rights reserved http://creativecommons.org/licenses/by-nc-nd/3.0/ This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported License. To view a copy of this license, visit http://creativecommons.org/licenses/by-nc-nd/3.0/
spellingShingle Article
Li, Xingxing
Zhao, Jin
Yang, Jinlong
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
title_full Semihydrogenated BN Sheet: A Promising Visible-light Driven Photocatalyst for Water Splitting
title_fullStr Semihydrogenated BN Sheet: A Promising Visible-light Driven Photocatalyst for Water Splitting
title_full_unstemmed Semihydrogenated BN Sheet: A Promising Visible-light Driven Photocatalyst for Water Splitting
title_short Semihydrogenated BN Sheet: A Promising Visible-light Driven Photocatalyst for Water Splitting
title_sort semihydrogenated bn sheet: a promising visible-light driven photocatalyst for water splitting
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3656388/
https://www.ncbi.nlm.nih.gov/pubmed/23681171
http://dx.doi.org/10.1038/srep01858
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