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Journal of Electronic Materials
Published in: Journal of Electronic Materials 1/2023

11-10-2022 | Original Research Article

First-Principles Study on C3N4 Intermediate Band Materials

Authors: Jianbo Yin, Xiaobin Yan, Min Zhu

Published in: Journal of Electronic Materials | Issue 1/2023

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Abstract

The electronic structures and optical properties of cubic C3N4 doped by vanadium (V) were investigated by first principles. The calculation results of the electronic structure show that V-doped cubic C3N4 can produce two intermediate bands around the Fermi level. The calculation results of the optical properties show that V doping can significantly increase the light absorption of cubic C3N4 in UV–visible region. Therefore, the overall calculated results show that V-doped cubic C3N4 can produce new intermediate band structures and improve the optical performance of the material.
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Literature
1.
Y. Hao, S. Hao, Q. Li, X. Liu, H. Zou, and H. Yang, Metal-Nanoparticles-Loaded Ultrathin g-C3N4 Nanosheets at Liquid–Liquid Interfaces for Enhanced Biphasic Catalysis. ACS Appl. Mater. Interface 13, 47236 (2021).CrossRef
2.
G.A. Mulungulungu, T. Mao, and K. Han, Efficient Removal of High-Concentration Copper Ions from Wastewater Via 2D g-C3N4 Photocatalytic Membrane Filtration. Colloids Surf. A 623, 126714 (2021).CrossRef
3.
J. Ding, X. Sun, Q. Wang, D.S. Li, and K.K. Ostrikov, Plasma Synthesis of Pt/g-C3N4 Photocatalysts with Enhanced Photocatalytic Hydrogen Generation. J. Alloy Compd. 873, 159871 (2021).CrossRef
4.
G. Zeng, Y. Deng, X. Yu, Y. Zhu, and Y. Zhang, Ultrathin g-C3N4 as a Hole Extraction Layer to Boost Sunlight-Driven Water Oxidation of BiVO4-Based Photoanode. J. Power Source 494, 229701 (2021).CrossRef
5.
Q. Li, H. Xu, G. Zhou, F. Cheng, and Q. Wang, Sulfite Activation by Fe-doped g-C3N4 for Metronidazole Degradation. Sep. Purif. Technol. 272, 118928 (2021).CrossRef
6.
Y. Chen, Y. Zhang, H. Zou, M. Li, and Z. Tang, Tuning the Gas-Liquid-Solid Segmented Flow for Enhanced Heterogeneous Photosynthesis of Azo-Compounds. Chem. Eng. J. 423, 130226 (2021).CrossRef
7.
H. Qi, Y. Zhou, Y. Li, F. Liao, Z. Wang, X. Wang, H. Huang, M. Shao, Y. Liu, and Z. Kang, ZIF/Co-C3N4 with Enhanced Electrocatalytic Reduction of Carbon Dioxide Activity by the Photoactivation Process. Nanoscale 13, 14089 (2021).CrossRef
8.
Z. Cai, M. Kamiko, I. Yamada, and S. Yagi, PtCo3 Nanoparticle-Encapsulated Carbon Nanotubes as Active Catalysts for Methanol Fuel Cell Anodes. ACS Appl. Nano Mater. 4, 1445 (2021).CrossRef
9.
H. Zhang, D. Zheng, Z. Cai, Z. Song, and L. Guo, Graphitic Carbon Nitride Nanomaterials for Multicolor Light-Emitting Diodes and Bioimaging. ACS Appl. Nano Mater. 3, 6798 (2020).CrossRef
10.
J.T. Cao, X.L. Fu, L.Z. Zhao, S.H. Ma, and Y.M. Liu, Highly Efficient Resonance Energy Transfer in g-C3N4-Ag Nanostructure: Proof-of-Concept Toward Sensitive Split-Type Electrochemiluminescence Immunoassay. Sens. Actuators B Chem. 311, 127926 (2020).CrossRef
11.
X. Zhou, C. Zhao, C. Chen, J. Chen, and X. Chen, The Interaction of H2O, O2 and H2O+O2 Molecules with g-C3N4 Surface: A First-Principle Study. Diam. Relat. Mater. 125, 108995 (2022).CrossRef
12.
H. Zhang, L. Jia, P. Wu, R. Xu, J. He, and W. Jiang, Improved H2O2 Photogeneration by KOH-Doped g-C3N4 Under Visible Light Irradiation Due to Synergistic Effect of N Defects and K Modification. Appl. Surf. Sci. 527, 146584 (2020).CrossRef
13.
D.M. Teter and R.J. Hemley, Low-Compressibility Carbon Nitrides. Science 271, 53 (1996).CrossRef
14.
K.S. Al-Namshah and R.M. Mohamed, Development of Mesoporous Bi2WO6/g-C3N4 Heterojunctions Via Soft- and Hard-Template-Assisted Procedures for Accelerated and Reinforced Photocatalytic Reduction of Mercuric Cations Under Vis Light Irradiation. Ceram. Int. 47, 5003 (2021).CrossRef
15.
H.R.S. Abdellatif, G. Zhang, D. Xie, J. Ni, and C. Ni, Ionic Salt-Mediated Tuning of the Morphology and Band Structure of Graphitic Carbon Nitride for NO Removal Under Visible Light. ACS Appl. Nano Mater. 4, 2828 (2021).CrossRef
16.
S.K. Deb, A. Kumar, C. Narayana, G.K. Pradhan, and U.V. Waghmare, Elastic and Structural Instability of Cubic Sn3N4 and C3N4 Under Pressure. Phys. Rev. B 82, 2635 (2010).
17.
L.C. Ming, P. Zinin, Y. Meng, X.R. Liu, S.M. Hong, and Y. Xie, A Cubic Phase of C3N4 Synthesized in the Diamond-Anvil Cell. J. Appl. Phys. 99, 841 (2006).CrossRef
18.
Z.A. Jing, X.A. Bo, S. Chao, B. Wza, C. Ddd, and B. Bpa, Roles of Oxygen-Containing Functional Groups of O-Doped g-C3N4 in Catalytic Ozonation: Quantitative Relationship and First-Principles Investigation-Science Direct. Appl. Catal. B Environ. 292, 120155 (2021).CrossRef
19.
O. Hakami, Rational Construction of 1D/2D Cu-NiS/S-g-C3N4 Binary Nanocomposites Heterojunction Enriching Spatial Charge Carrier Separation Under Visible Light Irradiation. Mater. Sci. Semicond. Process. 141, 106448 (2022).CrossRef
20.
X.B. Ding, F. Li, Q.C. Cao, H. Wu, Y.H. Qin, L. Yang, T. Wang, X. Zheng, and C.W. Wang, Core-Shell S-Doped g-C3N4@P123 Derived N and S Co-Doped Carbon as Metal-Free Electrocatalysts Highly Efficient for Oxygen Reduction Reaction. Chem. Eng. J. 429, 132469 (2022).CrossRef
21.
Z. Zhu, Z. Liu, X. Tang, R. Kumar, and J. Zhao, Sulfur Doped g-C3N4 for Efficient Photocatalytic CO2 Reduction: An Insight by Experiment and First-Principle Calculation. Catal. Sci. Technol. 11, 1725 (2021).CrossRef
22.
Y.B. Wu, C. He, F.S. Han, and W.X. Zhang, Construction of an Arsenene/g-C3N4 Hybrid Heterostructure Towards Enhancing Photocatalytic Activity of Overall Water Splitting: A First-Principles Study. J. Solid State Chem. 299, 122138 (2021).CrossRef
23.
X. Zhou, C. Zhao, J. Chen, and L. Chen, Influence of B, Zn, and B-Zn Doping on Electronic Structure and Optical Properties of g-C3N4 Photocatalyst: A First-Principles Study. Result Phys. 26, 104338 (2021).CrossRef
24.
B.K. Rajwar and S.K. Sharma, Chemically Synthesized Ti-doped SnS2 Thin Films as Intermediate Band Gap Material for Solar Cell Application. Opt. Quantum Electron 54, 1 (2022).CrossRef
25.
D. Huang, L. Ding, Y. Xue, J. Guo, Y.J. Zhao, and C. Persson, Interface of Sn-doped AgAlTe2 and LiInTe2: A Theoretical Model of Tandem Intermediate Band Absorber. Appl. Phys. Lett. 118, 04390 (2021).CrossRef
26.
N. Nor, E. Mazalan, and N. Amin, Insights into Enhancing Photocatalytic Reduction of CO2: Substitutional Defect Strategy of Modified g-C3N4 by Experimental and Theoretical Calculation Approaches. J. Alloy Compd. 871, 159464 (2021).CrossRef
27.
I. Ramiro and A. Martí, Intermediate Band Solar Cells: Present and Future. Prog Photovolt Res. Appl. 29, 705 (2020).CrossRef
28.
A. Marti, N. Lopez, E. Antolin, E. Canovas, C. Stanley, C. Farmer, L. Cuadra, and A. Luque, Novel Semiconductor Solar Cell Structures: The Quantum Dot Intermediate Band Solar Cell. Thin Solid Films 511, 638 (2006).CrossRef
29.
Z. Zhang, H. Guo, G. Zhong, F. Yu, Q. Xiong, and X. Fan, Formation of Cubic C3N4 Thin Films by Plasma Enhanced Chemical Vapor Deposition. Thin Solid Films 346, 96 (1999).CrossRef
30.
X. Zhan, Z. Deng, J. Nie, Y. Du, L. Li, and X. Zu, First-Principles Study on the Strain-Mediated g-C3N4/blue Phosphorene Heterostructures for Promising Photocatalytic Performance. J. Phys. Condens. Matter 33, 485703 (2021).CrossRef
31.
Q. Chen, R. Zhang, J. Xu, S. Cao, and F. Gao, First-Principles Calculations of Defect Formation Energy and Carrier Concentration Ti4+, Ta5+ and W6+ Doped KSr2Nb5O15. Comput. Mater. Sci. 173, 109427 (2019).CrossRef
32.
K. Kobayashi, S. Yamaoka, K. Sueoka, and J. Vanhellemont, Thermal Equilibrium Concentration of Intrinsic Point Defects in Heavily Doped Silicon Crystals-Theoretical Study of Formation Energy and Formation Entropy in Area of Influence of Dopant Atoms. J. Cryst. Growth 474, 110 (2017).CrossRef
Metadata
Title
First-Principles Study on C3N4 Intermediate Band Materials
Authors
Jianbo Yin
Xiaobin Yan
Min Zhu
Publication date
11-10-2022
Publisher
Springer US
Published in
Journal of Electronic Materials / Issue 1/2023
Print ISSN: 0361-5235
Electronic ISSN: 1543-186X
DOI
https://doi.org/10.1007/s11664-022-09996-8

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