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author:

Ma, Zuju (Ma, Zuju.) [1] | Cui, Zhitao (Cui, Zhitao.) [2] | Lv, Yaohui (Lv, Yaohui.) [3] | Sa, Rongjian (Sa, Rongjian.) [4] | Wu, Kechen (Wu, Kechen.) [5] | Li, Qiaohong (Li, Qiaohong.) [6]

Indexed by:

EI Scopus SCIE

Abstract:

The insufficient oxidation capacity, high carrier recombination rate and limited sunlight absorption seriously suppress the photocatalytic activity of pure g-C3N4. Using state-of-the-art hybrid density functional theory, we report an efficient method to tackle all aforementioned issues of g-C3N4 by metal-nonmetal (S and K) co-doping here. We find the adsorption of K atom on hollow site causes dynamic strain of g-C3N4. The S + K co-doping not only shifts the band edges downwards to achieve a much large overpotential of ca. 0.76 V, but also significantly extends the visible-light absorption threshold of g-C3N4. More importantly, the newly established channel between neighboring heptazine units in the doped structure is highly favorable for the separation of charge carriers. Our results help the design of high-performance visible-light-responsive g-C3N4-based photocatalyst for solar water splitting. (C) 2019 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

Keyword:

Carrier recombination Co-doping DFT g-C3N4 Water splitting

Community:

  • [ 1 ] [Ma, Zuju]Anhui Univ Technol, Sch Mat Sci & Engn, Key Lab Green Fabricat & Surface Technol Adv Met, Minist Educ, Maanshan 243002, Peoples R China
  • [ 2 ] [Cui, Zhitao]Anhui Univ Technol, Sch Mat Sci & Engn, Key Lab Green Fabricat & Surface Technol Adv Met, Minist Educ, Maanshan 243002, Peoples R China
  • [ 3 ] [Lv, Yaohui]Anhui Univ Technol, Sch Mat Sci & Engn, Key Lab Green Fabricat & Surface Technol Adv Met, Minist Educ, Maanshan 243002, Peoples R China
  • [ 4 ] [Ma, Zuju]Fuzhou Univ, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350116, Peoples R China
  • [ 5 ] [Sa, Rongjian]Minjiang Univ, Ocean Coll, Inst Oceanog, Fuzhou 350108, Peoples R China
  • [ 6 ] [Wu, Kechen]Minjiang Univ, Ocean Coll, Inst Oceanog, Fuzhou 350108, Peoples R China
  • [ 7 ] [Li, Qiaohong]Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Peoples R China

Reprint 's Address:

  • [Sa, Rongjian]Minjiang Univ, Ocean Coll, Inst Oceanog, Fuzhou 350108, Peoples R China;;[Wu, Kechen]Minjiang Univ, Ocean Coll, Inst Oceanog, Fuzhou 350108, Peoples R China

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Source :

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

ISSN: 0360-3199

Year: 2020

Issue: 7

Volume: 45

Page: 4534-4544

5 . 8 1 6

JCR@2020

8 . 1 0 0

JCR@2023

ESI Discipline: ENGINEERING;

ESI HC Threshold:132

JCR Journal Grade:2

CAS Journal Grade:3

Cited Count:

WoS CC Cited Count: 52

SCOPUS Cited Count: 54

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 0

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