Three-in-One: Opened Charge-transfer channel, positively shifted oxidation potential, and enhanced visible light response of g-C3N4 photocatalyst through K and S Co-doping

被引:55
作者
Ma, Zuju [1 ,2 ]
Cui, Zhitao [1 ]
Lv, Yaohui [1 ]
Sa, Rongjian [3 ]
Wu, Kechen [3 ]
Li, Qiaohong [4 ]
机构
[1] Anhui Univ Technol, Sch Mat Sci & Engn, Key Lab Green Fabricat & Surface Technol Adv Met, Minist Educ, Maanshan 243002, Peoples R China
[2] Fuzhou Univ, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350116, Peoples R China
[3] Minjiang Univ, Ocean Coll, Inst Oceanog, Fuzhou 350108, Peoples R China
[4] Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Peoples R China
基金
美国国家科学基金会;
关键词
g-C3N4; Co-doping; Water splitting; Carrier recombination; DFT; GRAPHITIC CARBON NITRIDE; HYDROTHERMAL SYNTHESIS; ELECTRONIC-STRUCTURE; HYDROGEN EVOLUTION; CATALYTIC-ACTIVITY; CODOPED G-C3N4; POROUS G-C3N4; DOPED G-C3N4; WATER; EFFICIENT;
D O I
10.1016/j.ijhydene.2019.12.074
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
引用
收藏
页码:4534 / 4544
页数:11
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