The functionalization effect of benzoic acid and anisole on the photocatalytic activity of monolayer MoS 2 - Details

author：

Suo, Y. (Suo, Y..) ^[1] | Liu, H. (Liu, H..) ^[2] | Huang, S. (Huang, S..) ^[3] | Zhang, Y. (Zhang, Y..) ^[4] | Ding, K. (Ding, K..) ^[5]

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Abstract：

By　means　of　density　functional　theory　(DFT)　computations,　we　investigated　the　functionalization　effects　of　relatively　non-toxic　organic　molecules　(C　6　H　5　COOH　and　C　6　H　5　OCH　3　)　on　the　photocatalytic　performance　of　monolayer　MoS　2　.　It　is　found　that　C　6　H　5　COOH　and　C　6　H　5　OCH　3　both　are　physically　adsorbed　on　the　surface　of　MoS　2　.　The　functionalization　of　C　6　H　5　COOH　and　C　6　H　5　OCH　3　on　monolayer　MoS　2　not　only　facilitate　the　separation　of　photoinduced　carriers　and　improve　the　optical　adsorption　ability,　but　also　make　the　band　positions　enough　to　drive　water　split　into　H　2　and　O　2　.　Thus,　we　propose　that　the　C　6　H　5　COOH/MoS　2　and　C　6　H　5　OCH　3　/MoS　2　can　be　potential　photocatalysts　for　overall　water　splitting　under　visible　light.　©　2017　Elsevier　B.V.

Keyword：

Anisole; Benzoic acid; DFT; Monolayer MoS2; The functionalization; The photocatalytic activity

Community：

[ 1 ] [Suo, Y.]Department of Chemistry, Research Institute of Photocatalysis, State Key Laboratory of Photocatalysis on Energy and Environment, Fuzhou University, Fuzhou, Fujian 350108, China
[ 2 ] [Liu, H.]Department of Chemistry, Research Institute of Photocatalysis, State Key Laboratory of Photocatalysis on Energy and Environment, Fuzhou University, Fuzhou, Fujian 350108, China
[ 3 ] [Huang, S.]Department of Chemistry, Research Institute of Photocatalysis, State Key Laboratory of Photocatalysis on Energy and Environment, Fuzhou University, Fuzhou, Fujian 350108, China
[ 4 ] [Zhang, Y.]Department of Chemistry, Research Institute of Photocatalysis, State Key Laboratory of Photocatalysis on Energy and Environment, Fuzhou University, Fuzhou, Fujian 350108, China
[ 5 ] [Zhang, Y.]Key Laboratory of Optoelectronic Materials Chemistry and Physics, Chinese Academy of Sciences, Fuzhou, Fujian 350002, China
[ 6 ] [Ding, K.]Department of Chemistry, Research Institute of Photocatalysis, State Key Laboratory of Photocatalysis on Energy and Environment, Fuzhou University, Fuzhou, Fujian 350108, China

Reprint 's Address：

[Ding, K.]Department of Chemistry, Research Institute of Photocatalysis, State Key Laboratory of Photocatalysis on Energy and Environment, Fuzhou UniversityChina

Email：

dknfzu@fzu.edu.cn

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Source ：

Applied Surface Science

ISSN： 0169-4332

Year： 2018

Volume： 437

Page： 314-320

5 . 1 5 5

JCR@2018

6 . 3 0 0

JCR@2023

ESI HC Threshold：284

JCR Journal Grade：1

CAS Journal Grade：1

Cited Count：

WoS CC Cited Count：

SCOPUS Cited Count： 14

ESI Highly Cited Papers on the List： 0 Unfold All

WanFang Cited Count：

Chinese Cited Count：

30 Days PV： 3

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