Charge-compensated codoped pseudohexagonal zinc selenide nanosheets towards enhanced visible-light-driven photocatalytic water splitting for hydrogen production.
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| Title: | Charge-compensated codoped pseudohexagonal zinc selenide nanosheets towards enhanced visible-light-driven photocatalytic water splitting for hydrogen production. |
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| Authors: | Ni, Chen1 (AUTHOR), Fu, Can1 (AUTHOR), Wang, Biao1 (AUTHOR), Yuan, Hongkuan1 (AUTHOR), Chen, Hong1 (AUTHOR) chenh@swu.edu.cn |
| Source: | International Journal of Hydrogen Energy. Oct2021, Vol. 46 Issue 69, p34305-34317. 13p. |
| Subjects: | Zinc selenide, Hydrogen production, Hydrogen evolution reactions, Nanostructured materials, Electron-hole recombination |
| Abstract: | Two-dimensional (2D) pseudohexagonal ZnSe (h -ZnSe) nanosheet has been sythesized and demonstrated to be a stable, cut-price and high-efficiency photocatalyst under the irradiation of ultraviolet light. Herein, we use hybrid density functional theory to rationally design the charge-compensated codoped h -ZnSe sheets, which are simulated by substituting Sb for Se atom, and Sc or Y for Zn atom, for visible-light-driven photocatalytic water splitting to produce hydrogen. It is demonstrated that the Sc–Sb and Y–Sb codoped sheets are energetically favorable compared with Sc, Y, Sb-monodoped sheets because dopants have strong Coulombic interactions with other atoms, and moreover, have the effectively reduced bandgap, the larger absorption region of visible light, and appropriate band edges positions with respect to the water redox level. Meanwhile, compared to monodoped sheets, the codoped sheets do not introduce charge-imbalance defects or unoccupied impurity states which promote the electron-hole recombination. Furthermore, the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) are easier driven by photogenerated carriers due to the largely reduced overpotentials and ample active sites on the codoped sheets. Thus, the Sc–Sb and Y–Sb codoped h -ZnSe sheets can be promising photocatalysts for visible-light-driven water decomposition to generate hydrogen. [Display omitted] • Sc-or Y-Sb passivated codoping can effectively reduce band gap of pseudohexagonal ZnSe sheet. • Codoped ZnSe sheets have suitable positions of band edges with respect to the water redox potentials. • Codoping can promote the visible light absorption of ZnSe sheet. • Codoping can reduce the overpotential of ZnSe sheet for OER and HER. • Sc-or Y-Sb codoped ZnSe sheets are promising visible-light-driven photocatalyst. [ABSTRACT FROM AUTHOR] |
| Copyright of International Journal of Hydrogen Energy is the property of Pergamon Press - An Imprint of Elsevier Science and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
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| Header | DbId: egs DbLabel: Engineering Source An: 152577608 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Charge-compensated codoped pseudohexagonal zinc selenide nanosheets towards enhanced visible-light-driven photocatalytic water splitting for hydrogen production. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Ni%2C+Chen%22">Ni, Chen</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Fu%2C+Can%22">Fu, Can</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Wang%2C+Biao%22">Wang, Biao</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Yuan%2C+Hongkuan%22">Yuan, Hongkuan</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Chen%2C+Hong%22">Chen, Hong</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> chenh@swu.edu.cn</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22International+Journal+of+Hydrogen+Energy%22">International Journal of Hydrogen Energy</searchLink>. Oct2021, Vol. 46 Issue 69, p34305-34317. 13p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Zinc+selenide%22">Zinc selenide</searchLink><br /><searchLink fieldCode="DE" term="%22Hydrogen+production%22">Hydrogen production</searchLink><br /><searchLink fieldCode="DE" term="%22Hydrogen+evolution+reactions%22">Hydrogen evolution reactions</searchLink><br /><searchLink fieldCode="DE" term="%22Nanostructured+materials%22">Nanostructured materials</searchLink><br /><searchLink fieldCode="DE" term="%22Electron-hole+recombination%22">Electron-hole recombination</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Two-dimensional (2D) pseudohexagonal ZnSe (h -ZnSe) nanosheet has been sythesized and demonstrated to be a stable, cut-price and high-efficiency photocatalyst under the irradiation of ultraviolet light. Herein, we use hybrid density functional theory to rationally design the charge-compensated codoped h -ZnSe sheets, which are simulated by substituting Sb for Se atom, and Sc or Y for Zn atom, for visible-light-driven photocatalytic water splitting to produce hydrogen. It is demonstrated that the Sc–Sb and Y–Sb codoped sheets are energetically favorable compared with Sc, Y, Sb-monodoped sheets because dopants have strong Coulombic interactions with other atoms, and moreover, have the effectively reduced bandgap, the larger absorption region of visible light, and appropriate band edges positions with respect to the water redox level. Meanwhile, compared to monodoped sheets, the codoped sheets do not introduce charge-imbalance defects or unoccupied impurity states which promote the electron-hole recombination. Furthermore, the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) are easier driven by photogenerated carriers due to the largely reduced overpotentials and ample active sites on the codoped sheets. Thus, the Sc–Sb and Y–Sb codoped h -ZnSe sheets can be promising photocatalysts for visible-light-driven water decomposition to generate hydrogen. [Display omitted] • Sc-or Y-Sb passivated codoping can effectively reduce band gap of pseudohexagonal ZnSe sheet. • Codoped ZnSe sheets have suitable positions of band edges with respect to the water redox potentials. • Codoping can promote the visible light absorption of ZnSe sheet. • Codoping can reduce the overpotential of ZnSe sheet for OER and HER. • Sc-or Y-Sb codoped ZnSe sheets are promising visible-light-driven photocatalyst. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of International Journal of Hydrogen Energy is the property of Pergamon Press - An Imprint of Elsevier Science and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.ijhydene.2021.08.023 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 13 StartPage: 34305 Subjects: – SubjectFull: Zinc selenide Type: general – SubjectFull: Hydrogen production Type: general – SubjectFull: Hydrogen evolution reactions Type: general – SubjectFull: Nanostructured materials Type: general – SubjectFull: Electron-hole recombination Type: general Titles: – TitleFull: Charge-compensated codoped pseudohexagonal zinc selenide nanosheets towards enhanced visible-light-driven photocatalytic water splitting for hydrogen production. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Ni, Chen – PersonEntity: Name: NameFull: Fu, Can – PersonEntity: Name: NameFull: Wang, Biao – PersonEntity: Name: NameFull: Yuan, Hongkuan – PersonEntity: Name: NameFull: Chen, Hong IsPartOfRelationships: – BibEntity: Dates: – D: 06 M: 10 Text: Oct2021 Type: published Y: 2021 Identifiers: – Type: issn-print Value: 03603199 Numbering: – Type: volume Value: 46 – Type: issue Value: 69 Titles: – TitleFull: International Journal of Hydrogen Energy Type: main |
| ResultId | 1 |
