Novel Porous Boron Nitride Nanosheet with Carbon Doping: Potential Metal-Free Photocatalyst for Visible-Light-Driven Overall Water Splitting - Details

author：

Wan, Q. (Wan, Q..) ^[1] | Wei, F. (Wei, F..) ^[2] | Ma, Z. (Ma, Z..) ^[3] | Anpo, M. (Anpo, M..) ^[4] | Lin, S. (Lin, S..) ^[5]

Indexed by：

Scopus

Abstract：

The　band　gap　of　hexagonal　boron　nitride　(h-BN)　is　far　too　wide　for　efficiently　utilizing　visible　light,　limiting　its　application　in　photocatalysis.　The　present　study　employs　first　principles　calculations　to　demonstrate　that　the　band　gap　energies　of　porous　h-BN　(p-BN)　can　be　tuned　by　carbon　doping　to　levels　appropriate　for　the　absorption　of　visible-light,　and　that　the　conduction　band　and　valence　band　match　well　with　the　potentials　of　both　hydrogen　and　oxygen　evolution　reactions.　Importantly,　a　strategy　of　carbon　doping　to　improve　the　energy　level　of　valence　band　maximum　is　also　proposed.　Moreover,　the　carbon-doped　p-BN　exhibits　good　separation　between　photogenerated　electrons/holes　and　structural　stability　at　high　temperatures.　The　DFT　results　help　the　design　of　high-performance　two-dimensional　photocatalysts　that　avoid　the　use　of　metals.　©　2019　WILEY-VCH　Verlag　GmbH　&　Co.　KGaA,　Weinheim

Keyword：

band structure engineering; metal-free catalysts; overall water splitting; photocatalyst; porous boron nitride nanosheets

Community：

[ 1 ] [Wan, Q.]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou, 350002, China
[ 2 ] [Wei, F.]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou, 350002, China
[ 3 ] [Ma, Z.]School of Materials Science and Engineering, Anhui University of Technology, Maanshan, 243002, China
[ 4 ] [Anpo, M.]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou, 350002, China
[ 5 ] [Anpo, M.]Department of Applied Chemistry, Graduate School of Engineering, Osaka Prefecture University, Sakai, Osaka 599-8531, Japan
[ 6 ] [Lin, S.]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou, 350002, China

Reprint 's Address：

[Lin, S.]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, School of Materials Science and Engineering, Anhui University of TechnologyChina

Email：

slin@fzu.edu.cn

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Source ：

Advanced Theory and Simulations

ISSN： 2513-0390

Year： 2019

Issue： 4

Volume： 2

2 . 9 5 1

JCR@2019

2 . 9 0 0

JCR@2023

ESI HC Threshold：283

Cited Count：

WoS CC Cited Count：

SCOPUS Cited Count： 28

ESI Highly Cited Papers on the List： 0 Unfold All

WanFang Cited Count：

Chinese Cited Count：

30 Days PV： 0

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