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Optoelectronic properties and strain regulation of the 2D WS(2)/ZnO van der Waals heterostructure
The combination of zinc oxide (ZnO) and transition metal dichalcogenide (TMD) nanoparticles has higher photocatalytic efficiency and field emission performance than TMDs or ZnO, as well as significantly higher water cracking photocatalytic activity. By first-principles calculation, we investigated t...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8697725/ https://www.ncbi.nlm.nih.gov/pubmed/35423906 http://dx.doi.org/10.1039/d1ra01877a |
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author | Guan, Yujun Yao, Hui Zhan, Huahan Wang, Hao Zhou, Yinghui Kang, Junyong |
author_facet | Guan, Yujun Yao, Hui Zhan, Huahan Wang, Hao Zhou, Yinghui Kang, Junyong |
author_sort | Guan, Yujun |
collection | PubMed |
description | The combination of zinc oxide (ZnO) and transition metal dichalcogenide (TMD) nanoparticles has higher photocatalytic efficiency and field emission performance than TMDs or ZnO, as well as significantly higher water cracking photocatalytic activity. By first-principles calculation, we investigated the structural and optoelectronic properties of the two-dimensional (2D) WS(2)/ZnO van der Waals (vdWs) heterostructure, and the regulation effect of biaxial strain. It is revealed that the conduction-band minimum (CBM) is lower than the reduction potential of water (EH(+)(/H2) ≈ −4.44 eV), and the valence-band maximum (VBM) is lower than the oxidation potential (E(O2/H2O) ≈ −5.67 eV), thus the heterostructure is a good oxidant in the water decomposition process, but cannot match the requirements for water reduction. By applying a −2% biaxial strain, the CBM is elevated to a position higher than the reduction potential of water, then the 2D vdWs WS(2)/ZnO heterostructure becomes a good material for the application of water reduction and other photovoltaic and photocatalytic devices. |
format | Online Article Text |
id | pubmed-8697725 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | The Royal Society of Chemistry |
record_format | MEDLINE/PubMed |
spelling | pubmed-86977252022-04-13 Optoelectronic properties and strain regulation of the 2D WS(2)/ZnO van der Waals heterostructure Guan, Yujun Yao, Hui Zhan, Huahan Wang, Hao Zhou, Yinghui Kang, Junyong RSC Adv Chemistry The combination of zinc oxide (ZnO) and transition metal dichalcogenide (TMD) nanoparticles has higher photocatalytic efficiency and field emission performance than TMDs or ZnO, as well as significantly higher water cracking photocatalytic activity. By first-principles calculation, we investigated the structural and optoelectronic properties of the two-dimensional (2D) WS(2)/ZnO van der Waals (vdWs) heterostructure, and the regulation effect of biaxial strain. It is revealed that the conduction-band minimum (CBM) is lower than the reduction potential of water (EH(+)(/H2) ≈ −4.44 eV), and the valence-band maximum (VBM) is lower than the oxidation potential (E(O2/H2O) ≈ −5.67 eV), thus the heterostructure is a good oxidant in the water decomposition process, but cannot match the requirements for water reduction. By applying a −2% biaxial strain, the CBM is elevated to a position higher than the reduction potential of water, then the 2D vdWs WS(2)/ZnO heterostructure becomes a good material for the application of water reduction and other photovoltaic and photocatalytic devices. The Royal Society of Chemistry 2021-04-15 /pmc/articles/PMC8697725/ /pubmed/35423906 http://dx.doi.org/10.1039/d1ra01877a Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by/3.0/ |
spellingShingle | Chemistry Guan, Yujun Yao, Hui Zhan, Huahan Wang, Hao Zhou, Yinghui Kang, Junyong Optoelectronic properties and strain regulation of the 2D WS(2)/ZnO van der Waals heterostructure |
title | Optoelectronic properties and strain regulation of the 2D WS(2)/ZnO van der Waals heterostructure |
title_full | Optoelectronic properties and strain regulation of the 2D WS(2)/ZnO van der Waals heterostructure |
title_fullStr | Optoelectronic properties and strain regulation of the 2D WS(2)/ZnO van der Waals heterostructure |
title_full_unstemmed | Optoelectronic properties and strain regulation of the 2D WS(2)/ZnO van der Waals heterostructure |
title_short | Optoelectronic properties and strain regulation of the 2D WS(2)/ZnO van der Waals heterostructure |
title_sort | optoelectronic properties and strain regulation of the 2d ws(2)/zno van der waals heterostructure |
topic | Chemistry |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8697725/ https://www.ncbi.nlm.nih.gov/pubmed/35423906 http://dx.doi.org/10.1039/d1ra01877a |
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