Chinese Journal of Catalysis ›› 2023, Vol. 47: 150-160.DOI: 10.1016/S1872-2067(23)64417-1
• Article • Previous Articles Next Articles
Sue-Faye Nga,b, Xingzhu Chenc, Joel Jie Fooa,b, Mo Xiongd,*(), Wee-Jun Onga,b,e,f,g,*(
)
Received:
2022-12-28
Accepted:
2023-02-08
Online:
2023-04-18
Published:
2023-03-20
Contact:
*E-mail: weejun.ong@xmu.edu.my (W.-J. Ong),xiongmo@xjtu.edu.cn (M. Xiong).
About author:
Wee-Jun Ong (School of Energy and Chemical Engineering, Xiamen University Malaysia) received his B.Eng. and Ph.D. in chemical engineering from Monash University. He is presently an Assistant Dean and Associate Professor in the School of Energy and Chemical Engineering at Xiamen University Malaysia (XMUM). From 2016 to 2018, he was a scientist at Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research (ASTAR) in Singapore. Starting from 2021, he becomes a Director of the Center of Excellence for NaNo Energy & Catalysis Technology (CONNECT) at XMUM. In 2019, he was a visiting scientist at Technische Universität Dresden, Germany and a visiting professor at Lawrence Berkeley National Laboratory (LBNL), USA. His research interests focus on tunable design of nanostructured materials (i.e., 2D nanoarchitectures and carbon-based substrates) for photocatalytic, photoelectrocatalytic, and electrochemical H2O splitting, CO2 reduction, N2 fixation and alcohol oxidation. Apart from these, his most recent progresses include the 3D printing nanotechnology as well as microwave plasma methane cracking for graphene and hydrogen production/storage. He has coauthored more than 120 peer-reviewed papers and received over 16000 citations and a H-index of 56 to date.
Supported by:
Sue-Faye Ng, Xingzhu Chen, Joel Jie Foo, Mo Xiong, Wee-Jun Ong. 2D carbon nitrides: Regulating non-metal boron-doped C3N5 for elucidating the mechanism of wide pH range photocatalytic hydrogen evolution reaction[J]. Chinese Journal of Catalysis, 2023, 47: 150-160.
Add to citation manager EndNote|Ris|BibTeX
URL: https://www.cjcatal.com/EN/10.1016/S1872-2067(23)64417-1
Fig. 1. Top and side view of g-C3N4 (a) and triazole-triazine C3N5 (b) framework marked with positions used for boron-doping. The C and N atoms are represented in brown and grey, respectively.
Fig. 2. Formation energies of boron-dopant on various sites on C3N5. The C, N and boron atoms are represented in brown, grey, and green, respectively.
Model | WF (Φ) |
---|---|
BC1-C3N5 | 5.71 |
BN2-C3N5 | 5.76 |
BN3-C3N5 | 5.02 |
BN4-C3N5 | 5.88 |
BIn-C3N5 | 4.36 |
C3N5 | 5.80 |
Table 1 Work function (Φ) of boron-doped C3N5 and pristine C3N5 models.
Model | WF (Φ) |
---|---|
BC1-C3N5 | 5.71 |
BN2-C3N5 | 5.76 |
BN3-C3N5 | 5.02 |
BN4-C3N5 | 5.88 |
BIn-C3N5 | 4.36 |
C3N5 | 5.80 |
Fig. 3. Band gap potential of pristine C3N5 (a), BC1-C3N5 (b), BN2-C3N5 (c), BN3-C3N5 (d), BN4-C3N5 (e), and BIn-C3N5 (f). Red, blue and magenta represent the contribution from N, C and B, respectively. (g) Band gap position of pristine C3N5 and other boron-doped C3N5 models.
Fig. 5. Adsorption energy for H2O and H2 molecule on different boron-doped C3N5 models and pristine C3N5. Blue and yellow represent H2O and H2 adsorption energies, respectively.
Fig. 6. Schematic of HER pathway for Volmer-Heyrovsky and Volmer-Tafel pathway in acidic (a) and alkaline (b) media on BN3-C3N5 model. The Tafel pathway is denoted with grey arrows and circles. The C, N, H, O, and boron atoms are represented in brown, grey, red, white, and green, respectively.
Fig. 7. Reaction kinetics for Volmer mechanism for boron-doped C3N5 and pristine C3N5 (a) and Volmer-Heyrovsky and Tafel mechanism for BN3-C3N5 and original C3N5 (b) in acid conditions. Tafel pathway is denoted in light grey. The inset of the Fig. is the reaction pathway on BN3-C3N5.
Fig. 8. Reaction kinetics for (a) Volmer mechanism of HER on BN3-C3N5 catalysts and (b) Volmer-Heyrovsky and Tafel mechanism of HER on BN3-C3N5 in alkaline condition. Tafel pathway is denoted in light grey. The right side of the Fig. is the schematic of the reaction mechanism on the catalyst surface. The inset of the Fig. is the reaction pathway on BN3-C3N5.
|
[1] | Binbin Zhao, Wei Zhong, Feng Chen, Ping Wang, Chuanbiao Bie, Huogen Yu. High-crystalline g-C3N4 photocatalysts: Synthesis, structure modulation, and H2-evolution application [J]. Chinese Journal of Catalysis, 2023, 52(9): 127-143. |
[2] | Xiaolong Tang, Feng Li, Fang Li, Yanbin Jiang, Changlin Yu. Single-atom catalysts for the photocatalytic and electrocatalytic synthesis of hydrogen peroxide [J]. Chinese Journal of Catalysis, 2023, 52(9): 79-98. |
[3] | Jin-Nian Hu, Ling-Chan Tian, Haiyan Wang, Yang Meng, Jin-Xia Liang, Chun Zhu, Jun Li. Theoretical screening of single-atom electrocatalysts of MXene-supported 3d-metals for efficient nitrogen reduction [J]. Chinese Journal of Catalysis, 2023, 52(9): 252-262. |
[4] | Zicong Jiang, Bei Cheng, Liuyang Zhang, Zhenyi Zhang, Chuanbiao Bie. A review on ZnO-based S-scheme heterojunction photocatalysts [J]. Chinese Journal of Catalysis, 2023, 52(9): 32-49. |
[5] | Xiaohan Wang, Han Tian, Xu Yu, Lisong Chen, Xiangzhi Cui, Jianlin Shi. Advances and insights in amorphous electrocatalyst towards water splitting [J]. Chinese Journal of Catalysis, 2023, 51(8): 5-48. |
[6] | Lu Cheng, Xuning Chen, P. Hu, Xiao-Ming Cao. Advantages and limitations of hydrogen peroxide for direct oxidation of methane to methanol at mono-copper active sites in Cu-exchanged zeolites [J]. Chinese Journal of Catalysis, 2023, 51(8): 135-144. |
[7] | Ce Han, Bingbao Mei, Qinghua Zhang, Huimin Zhang, Pengfei Yao, Ping Song, Xue Gong, Peixin Cui, Zheng Jiang, Lin Gu, Weilin Xu. Atomic Ru coordinated by channel ammonia in V-doped tungsten bronze for highly efficient hydrogen-evolution reaction [J]. Chinese Journal of Catalysis, 2023, 51(8): 80-89. |
[8] | Fei Yan, Youzi Zhang, Sibi Liu, Ruiqing Zou, Jahan B Ghasemi, Xuanhua Li. Efficient charge separation by a donor-acceptor system integrating dibenzothiophene into a porphyrin-based metal-organic framework for enhanced photocatalytic hydrogen evolution [J]. Chinese Journal of Catalysis, 2023, 51(8): 124-134. |
[9] | Zhaochun Liu, Xue Zong, Dionisios G. Vlachos, Ivo A. W. Filot, Emiel J. M. Hensen. A computational study of electrochemical CO2 reduction to formic acid on metal-doped SnO2 [J]. Chinese Journal of Catalysis, 2023, 50(7): 249-259. |
[10] | Defa Liu, Bin Sun, Shuojie Bai, Tingting Gao, Guowei Zhou. Dual co-catalysts Ag/Ti3C2/TiO2 hierarchical flower-like microspheres with enhanced photocatalytic H2-production activity [J]. Chinese Journal of Catalysis, 2023, 50(7): 273-283. |
[11] | Han-Zhi Xiao, Bo Yu, Si-Shun Yan, Wei Zhang, Xi-Xi Li, Ying Bao, Shu-Ping Luo, Jian-Heng Ye, Da-Gang Yu. Photocatalytic 1,3-dicarboxylation of unactivated alkenes with CO2 [J]. Chinese Journal of Catalysis, 2023, 50(7): 222-228. |
[12] | Jingxiang Low, Chao Zhang, Ferdi Karadas, Yujie Xiong. Photocatalytic CO2 conversion: Beyond the earth [J]. Chinese Journal of Catalysis, 2023, 50(7): 1-5. |
[13] | Zhihan Yu, Chen Guan, Xiaoyang Yue, Quanjun Xiang. Infiltration of C-ring into crystalline carbon nitride S-scheme homojunction for photocatalytic hydrogen evolution [J]. Chinese Journal of Catalysis, 2023, 50(7): 361-371. |
[14] | Shipeng Geng, Liming Chen, Haixin Chen, Yi Wang, Zhao-Bin Ding, Dandan Cai, Shuqin Song. Revealing the electrocatalytic mechanism of layered crystalline CoMoO4 for water splitting: A theoretical study from facet selecting to active site engineering [J]. Chinese Journal of Catalysis, 2023, 50(7): 334-342. |
[15] | Huijie Li, Manzhou Chi, Xing Xin, Ruijie Wang, Tianfu Liu, Hongjin Lv, Guo-Yu Yang. Highly selective photoreduction of CO2 catalyzed by the encapsulated heterometallic-substituted polyoxometalate into a photo-responsive metal-organic framework [J]. Chinese Journal of Catalysis, 2023, 50(7): 343-351. |
Viewed | ||||||
Full text |
|
|||||
Abstract |
|
|||||