Defect-engineered 2D/2D hBN/g-C3N4 Z-scheme heterojunctions with full visible-light absorption: Efficient metal-free photocatalysts for hydrogen evolution

被引:64
|
作者
Xu, Liang [1 ,4 ,6 ]
Zeng, Jian [1 ,2 ,3 ]
Li, Quan [1 ,6 ]
Xia, Libin [1 ]
Luo, Xin [5 ]
Ma, Zongle [1 ]
Peng, Bojun [1 ]
Xiong, S. X. [4 ]
Li, Zhengquan [4 ]
Wang, Ling-Ling [6 ]
Lei, Yongpeng [2 ,3 ]
机构
[1] Jiangxi Univ Sci & Technol, Energy Mat Comp Ctr, Nanchang 330013, Jiangxi, Peoples R China
[2] Cent South Univ, State Key Lab Powder Met, Changsha 410083, Peoples R China
[3] Cent South Univ, Hunan Prov Key Lab Chem Engn, Changsha 410083, Peoples R China
[4] Jiangxi Univ Sci & Technol, Jiangxi Prov Key Lab Simulat & Modelling Particul, Nanchang 330013, Jiangxi, Peoples R China
[5] East China Jiaotong Univ, Sch Sci, Dept Appl Phys, Nanchang 330013, Jiangxi, Peoples R China
[6] Hunan Univ, Sch Phys & Elect, Changsha 410082, Hunan, Peoples R China
基金
中国国家自然科学基金;
关键词
Defect-engineered; hBN; g-C3N4; Z-scheme heterojunctions; Photocatalysts; BORON-NITRIDE NANOSHEETS; CARBON NITRIDE; WATER;
D O I
10.1016/j.apsusc.2021.149207
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
2D/2D hBN/g-C3N4 nanocomposites with good photocatalytic activity have been successfully prepared, and fortunately defected 2D material heterojunction opens up new possibilities for high-efficiency photocatalysts. However, its photocatalytic performance and mechanism in splitting water have not been thoroughly explored. Herein, using the state-of-theart TDHF-HSE06 method, 2D/2D hBN/g-C3N4 nanocomposites with different defected types were discussed in detail, including C atoms doping and natural point vacancies. We demonstrate that the defect-induced Z-scheme vdW heterojunction is a key for excellent photocatalytic performance. Compared to perfect hBN/g-C3N4, the defected hBN/g-C3N4 heterojunctions have stronger interfacial interaction with more than 20 times of charge transfer. And it even has full visible-light response due to the suitable band gap width. More importantly, the Z-scheme band edge potentials have perfect redox capacity for water splitting at both PH = 0 and 7. The findings not only explain the existing experimental phenomena, but also provide new insights into the design of high-efficiency metal-free photocatalysts.
引用
收藏
页数:9
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