GaN/Surface-modified graphitic carbon nitride heterojunction: Promising photocatalytic hydrogen evolution materials

被引：35

作者：

Ma, Zongle ^{[1
]}

Xu, Liang ^{[1
,3
,4
]}

Dong, Kejun ^{[2
]}

Chen, Tong ^{[1
,4
]}

Xiong, S. X. ^{[3
]}

Peng, Bojun ^{[1
]}

Zeng, Jian ^{[1
]}

Tang, Shuaihao ^{[1
]}

Li, Haotian ^{[1
]}

Huang, Xin ^{[1
]}

Luo, Kai-Wu ^{[5
]}

Wang, Ling-Ling ^{[4
]}

机构：

[1] Jiangxi Univ Sci & Technol, Energy Mat Comp Ctr, Sch Energy & Mech Engn, Nanchang 330013, Jiangxi, Peoples R China

[2] Western Sydney Univ, Ctr Infrastruct Engn, Sch Engn Design & Built Environm, Penrith, NSW 2751, Australia

[3] Jiangxi Univ Sci & Technol, Jiangxi Prov Key Lab Simulat & Modelling Particul, Nanchang 330013, Jiangxi, Peoples R China

[4] Hunan Univ, Sch Phys & Elect, Changsha 410082, Hunan, Peoples R China

[5] Tongren Univ, Phys & Elect Engn Dept, Tongren 554300, Peoples R China

来源：

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY | 2022年 / 47卷 / 11期

基金：

中国国家自然科学基金;

关键词：

G-CNs; GaN; Heterojunction; Hydrogen; Photocatalyst; OPTICAL-PROPERTIES; NANOSHEETS; WATER; C3N4; GAN; PREDICTION; EFFICIENCY; STABILITY; MOBILITY; C2N;

D O I：

10.1016/j.ijhydene.2021.12.077

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 coupling of two-dimensional (2D) layered materials is an effective way to realize photocatalytic hydrogen production. Herein, using first-principles calculations, the photocatalytic properties of GaN/CNs heterojunctions formed by two different graphite-like carbon nitride materials and GaN monolayer are discussed in detail. The results show that the GaN/C2N heterojunction can promote the effective separation of photogenerated electron and hole pairs, which is attributed to its type-II band orientation and high carrier mobility. However, the low overpotential of GaN/C2N for photocatalytic hydrogen production limits the photocatalytic performance. On this basis, we adjust the CBM position of the GaN/C2N heterojunction by applying an electric field to enhance its hydrogen evolution capability. In addition, the GaN/g-C3N4 is a type-I heterojunction, which is suitable for the field of optoelectronic devices. This work broadens the field of vision for the preparation of highly efficient photocatalysts. (C) 2021 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

引用

页码：7202 / 7213

页数：12

共 66 条

[1]

[Anonymous], 2018, ANGEW CHEM INT EDIT, V130, P3512, DOI [DOI 10.1002/ANGE.201710557, DOI 10.1002/ange.201710557]

[2] Tunable electronic and optical properties of new two-dimensional GaN/BAs van der Waals heterostructures with the potential for photovoltaic applications [J].

Attia, Ali A. ;

Jappor, Hamad Rahman .

CHEMICAL PHYSICS LETTERS, 2019, 728 :124-131

[3] Two-dimensional carbon nitride (2DCN) nanosheets: Tuning of novel electronic and magnetic properties by hydrogenation, atom substitution and defect engineering [J].

Bafekry, Asadollah ;

Shayesteh, Saber Farjami ;

Peeters, Francois M. .

JOURNAL OF APPLIED PHYSICS, 2019, 126 (21)

[4] DEFORMATION POTENTIALS AND MOBILITIES IN NON-POLAR CRYSTALS [J].

BARDEEN, J ;

SHOCKLEY, W .

PHYSICAL REVIEW, 1950, 80 (01) :72-80

[5] Ab-initio simulations of deformation potentials and electron mobility in chemically modified graphene and two-dimensional hexagonal boron-nitride [J].

Bruzzone, Samantha ;

Fiori, Gianluca .

APPLIED PHYSICS LETTERS, 2011, 99 (22)

[6] Prediction of two-dimensional nodal-line semimetals in a carbon nitride covalent network [J].

Chen, Haiyuan ;

Zhang, Shunhong ;

Jiang, Wei ;

Zhang, Chunxiao ;

Guo, Heng ;

Liu, Zheng ;

Wang, Zhiming ;

Liu, Feng ;

Niu, Xiaobin .

JOURNAL OF MATERIALS CHEMISTRY A, 2018, 6 (24) :11252-11259

[7] Length-independent multifunctional device based on penta-tetra-pentagonal molecule: a first-principles study [J].

Chen, Tong ;

Ding, Wence ;

Li, Huili ;

Zhou, Guanghui .

JOURNAL OF MATERIALS CHEMISTRY C, 2021, 9 (10) :3652-3660

[8] Interlayer interactions in graphites [J].

Chen, Xiaobin ;

Tian, Fuyang ;

Persson, Clas ;

Duan, Wenhui ;

Chen, Nan-xian .

SCIENTIFIC REPORTS, 2013, 3

[9] Effective solar driven H2 production by Mn0.5Cd0.5Se/g-C3N4 S-scheme heterojunction photocatalysts [J].

Chen, Yukai ;

Wang, Qian ;

Huang, Hengming ;

Kou, Jiahui ;

Lu, Chunhua ;

Xu, Zhongzi .

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2021, 46 (64) :32514-32522

[10] Enhanced photocatalytic performance of tungsten-based photocatalysts for degradation of volatile organic compounds: a review [J].

Cheng, Qiang ;

Zhang, Gao-Ke .

TUNGSTEN, 2020, 2 (03) :240-250

← 1 2 3 4 5 6 7 →