A two-dimensional layered CdS/C2N heterostructure for visible-light-driven photocatalysis

Literature Information

Publication Date 2017-09-26
DOI 10.1039/C7CP04108J
Impact Factor 3.676
Authors

Xukai Luo, Guangzhao Wang, Yuhong Huang, Biao Wang, Hongkuan Yuan


View Original

Abstract

In this work, we employ hybrid density functional theory calculations to design a two-dimensional layered CdS/C2N heterostructure for visible light photocatalytic water splitting to produce hydrogen. The calculation results show that the conduction band minimum (CBM) and the valence band maximum (VBM) of C2N monolayers are lower than those of CdS nanosheets by about 0.76 eV and 0.44 eV, respectively. The type-II band alignment, density of states, Bader charge analysis, and charge density difference of the CdS/C2N heterostructure indicate that the photogenerated electrons migrate from the CdS monolayer to the C2N monolayer, favoring the separation and transfer of photogenerated charge carriers, which restrains the recombination of photogenerated carriers and enhances the photocatalytic efficiency. The calculated band gap and optical absorption spectra reveal that the two-dimensional layered CdS/C2N heterostructure may be a potential photocatalyst for photo-electrochemical water splitting because of its appropriate band gap and excellent visible light absorption behavior. Moreover, the electronic and optical properties of the CdS/C2N heterostructure can be effectively modulated by the strain. These findings suggest that the C2N sheets are a promising candidate as metal-free co-catalysts for CdS photocatalysts, and also provide valuable information for experimentalists to design highly active and efficient visible light photocatalysts for water splitting.

Related Literature

Contents list

2023-12-19 Front/Back Matter

DOI: 10.1039/D4TA90002B

Front cover

2023-12-19 Cover

DOI: 10.1039/D4TA90001D

Interfacial phosphate-like “bridge” mediates bulk charge and surface oxygenated-intermediate migration for efficient photoelectrochemical water splitting

Cheng Wang, Wei Zhang, Shuo Gu, Shengdong Sun, Meng Zhou, Wei Chen, Shikuo Li

2023-12-02 Paper

DOI: 10.1039/D3TA06203A

High-value utilization of lignin: construction of an intelligent release system for targeting the delivery of pesticides

Yitong Wang, Xiaona Yu, Shuaishuai Ma, Shuling Cao, Xufeng Yuan

2023-11-23 Critical Review

DOI: 10.1039/D3GC03434H

Fe-based dual-atom catalysts for the oxygen reduction reaction

Wuyi Zhang, Shiyuan Yi, Yihong Yu, Anthony Kucernak

2023-11-27 Review Article

DOI: 10.1039/D3TA05147A

Correction: Achieving highly efficient CO2 to CO electroreduction exceeding 300 mA cm−2 with single-atom nickel electrocatalysts

Hui-Yun Jeong, Mani Balamurugan, Eun-suk Jeong, Uk Sim

2023-12-06 Correction

DOI: 10.1039/D3TA90261G

A fluorescent hydrogen-bonded organic framework for highly selective sensing of mono-nitrophenol isomers in water

Yu-Xin Lin, Chenghao Jiang, Yu-Bo Wang, Jia-Xin Wang, Bin Li, Guodong Qian

2023-11-20 Paper

DOI: 10.1039/D3TA05309A

Low band gap semiconducting covalent organic framework films with enhanced photocatalytic hydrogen evolution

Hüseyin Küçükkeçeci, Rajendra Prasad Paitandi, Vincent Weigelt, Veit Dippold, Shu Seki, Arne Thomas

2023-11-20 Paper

DOI: 10.1039/D3TA04552H

Progress in the applications of biocompatible ionic liquids: renewable commodity production, catalytic and pharmaceutical approaches – a review

Josiel Martins Costa, Tânia Forster-Carneiro, Jason P. Hallett

2023-11-29 Tutorial Review

DOI: 10.1039/D3GC03693F

You might also like

Compound Q&A

How should waste containing 2-Ethyl-4-Methyl-1H-Imidazole-5-Carbaldehyde (CAS: 88634-80-4) be handled?

Waste containing 2-Ethyl-4-Methyl-1H-Imidazole-5-Carbaldehyde (CAS: 88634-80-4) ...

88634-80-42-Ethyl-4-Methyl-1H-...
Compound Q&A

What industries use Triethoxy(octyl)silane (CAS: 1385031-14-0)?

Triethoxy(octyl)silane (CAS: 1385031-14-0) is widely used in the pharmaceuticals...

1385031-14-0Triethoxy(octyl)sila...
Compound Q&A

Are there alternatives to 3-iodo-7-nitro-1H-indazole (CAS: 864724-64-1) in synthesis?

Several alternatives to 3-iodo-7-nitro-1H-indazole (CAS: 864724-64-1) exist in t...

864724-64-13-iodo-7-nitro-1H-in...
Compound Q&A

Are there alternatives to Benzene, bis[(trimethoxysilyl)ethyl] (CAS: 266317-71-9) in synthesis?

Yes, there are alternatives to Benzene, bis[(trimethoxysilyl)ethyl] (CAS: 266317...

266317-71-9Benzene, bis[(trimet...
Compound Q&A

Is Isothiazole-3-carbonitrile (CAS: 1452-17-1) safe?

Isothiazole-3-carbonitrile (CAS: 1452-17-1) is generally considered safe when us...

1452-17-1Isothiazole-3-carbon...
Compound Q&A

Is (3-Chlorophenyl)methanol (CAS: 873-63-2) safe?

(3-Chlorophenyl)methanol (CAS: 873-63-2) is considered low to moderately toxic. ...

873-63-2(3-Chlorophenyl)meth...
Compound Q&A

How is (2S,3S)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-(2-naphthyl)propanoic acid (CAS: 959583-98-3) typically synthesized?

(2S,3S)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-(2-naphthyl)pr...

959583-98-3(2S,3S)-2-Hydroxy-3-...
Compound Q&A

What precautions should be taken when handling Methyl 2-(bromomethyl)-5-methoxybenzoate (CAS: 788081-99-2)?

Proper handling of methyl 2-(bromomethyl)-5-methoxybenzoate requires the use of ...

788081-99-2Methyl 2-(bromomethy...
Compound Q&A

What is 6,8-Dibromoimidazo[1,2-a]pyridine-2-carboxylic acid (CAS: 904805-36-3)?

6,8-Dibromoimidazo[1,2-a]pyridine-2-carboxylic acid (CAS: 904805-36-3) is an aro...

904805-36-36,8-Dibromoimidazo[1...
Compound Q&A

Is 3-Amino-5-bromo-2-pyridinecarbonitrile (CAS: 573675-27-1) safe?

3-Amino-5-bromo-2-pyridinecarbonitrile is considered safe when handled under pro...

573675-27-13-Amino-5-bromo-2-py...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.