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Experimental and DFT insights of the Zn-doping effects on the visible-light photocatalytic water splitting and dye decomposition over Zn-doped BiOBr photocatalysts

Experimental and DFT insights of the Zn-doping effects on the visible-light photocatalytic water splitting and dye decomposition over Zn-doped BiOBr photocatalysts
Experimental and DFT insights of the Zn-doping effects on the visible-light photocatalytic water splitting and dye decomposition over Zn-doped BiOBr photocatalysts
Synergetic experimental and DFT insights of energy band structures and photogenerated rate-limiting reactive species are indispensable to design impurity-doped photocatalysts for photocatalytic environment remediation and solar fuels. Herein, despite the larger bandgap (Eg) of the Zn-doped BiOBr samples, they exhibited superior activity to BiOBr in the photocatalytic water splitting but impaired the photodegradation of Rhodamine B under visible-light illumination. Based on the spectral and electrochemical impedance characterisations and DFT simulations, the wider bandgaps of Zn-doped BiOBr samples were explicitly assigned to the more positive valence band maxima (VBM) and more negative conduction band minima (CBM). The enhanced photocatalytic water splitting on the Zn-doped BiOBr was arisen from the higher redox chemical potentials of charge carriers on respective CBM and VBM, suppressed back reactions and depressed recombination of photogenerated charge carriers. However, the reduced e−-h+ recombination on the Zn-doped BiOBr cannot cancel the detrimental influences from the weaker light absorption and dye-sensitisation effects, leading to slower RhB photodegradation.
Photocatalysis, Zn-doped BiOBr, Photoelectrochemistry, Band structure, DFT
0926-3373
502-512
Guo, Junqiu
ec098123-bc59-445e-a5d9-460edc5f9d16
Jiang, Zheng
bcf19e78-f5c3-48e6-802b-fe77bd12deab
Liao, Xin
b17c128f-a408-4d4a-82fd-fb902d1acb74
Lee, Ming-Hsien
1229b199-f1f1-4ee5-bd32-db0ba489299f
Hyett, Geoffrey
4f292fc9-2198-4b18-99b9-3c74e7dfed8d
Huang, Chung-Che
825f7447-6d02-48f6-b95a-fa33da71f106
Hewak, Daniel
87c80070-c101-4f7a-914f-4cc3131e3db0
Mailis, Sakellaris
233e0768-3f8d-430e-8fdf-92e6f4f6a0c4
Zhou, Wei
5d4ade09-1cd3-4107-82ff-1cd9ecfdc35b
Jiang, Zheng
bcf19e78-f5c3-48e6-802b-fe77bd12deab
Guo, Junqiu
ec098123-bc59-445e-a5d9-460edc5f9d16
Jiang, Zheng
bcf19e78-f5c3-48e6-802b-fe77bd12deab
Liao, Xin
b17c128f-a408-4d4a-82fd-fb902d1acb74
Lee, Ming-Hsien
1229b199-f1f1-4ee5-bd32-db0ba489299f
Hyett, Geoffrey
4f292fc9-2198-4b18-99b9-3c74e7dfed8d
Huang, Chung-Che
825f7447-6d02-48f6-b95a-fa33da71f106
Hewak, Daniel
87c80070-c101-4f7a-914f-4cc3131e3db0
Mailis, Sakellaris
233e0768-3f8d-430e-8fdf-92e6f4f6a0c4
Zhou, Wei
5d4ade09-1cd3-4107-82ff-1cd9ecfdc35b
Jiang, Zheng
bcf19e78-f5c3-48e6-802b-fe77bd12deab

Guo, Junqiu, Jiang, Zheng, Liao, Xin, Lee, Ming-Hsien, Hyett, Geoffrey, Huang, Chung-Che, Hewak, Daniel, Mailis, Sakellaris, Zhou, Wei and Jiang, Zheng (2018) Experimental and DFT insights of the Zn-doping effects on the visible-light photocatalytic water splitting and dye decomposition over Zn-doped BiOBr photocatalysts. Applied Catalysis B Environmental, 243, 502-512. (doi:10.1016/j.apcatb.2018.09.089).

Record type: Article

Abstract

Synergetic experimental and DFT insights of energy band structures and photogenerated rate-limiting reactive species are indispensable to design impurity-doped photocatalysts for photocatalytic environment remediation and solar fuels. Herein, despite the larger bandgap (Eg) of the Zn-doped BiOBr samples, they exhibited superior activity to BiOBr in the photocatalytic water splitting but impaired the photodegradation of Rhodamine B under visible-light illumination. Based on the spectral and electrochemical impedance characterisations and DFT simulations, the wider bandgaps of Zn-doped BiOBr samples were explicitly assigned to the more positive valence band maxima (VBM) and more negative conduction band minima (CBM). The enhanced photocatalytic water splitting on the Zn-doped BiOBr was arisen from the higher redox chemical potentials of charge carriers on respective CBM and VBM, suppressed back reactions and depressed recombination of photogenerated charge carriers. However, the reduced e−-h+ recombination on the Zn-doped BiOBr cannot cancel the detrimental influences from the weaker light absorption and dye-sensitisation effects, leading to slower RhB photodegradation.

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More information

Accepted/In Press date: 28 September 2018
e-pub ahead of print date: 1 October 2018
Keywords: Photocatalysis, Zn-doped BiOBr, Photoelectrochemistry, Band structure, DFT

Identifiers

Local EPrints ID: 426318
URI: https://eprints.soton.ac.uk/id/eprint/426318
ISSN: 0926-3373
PURE UUID: 20aacc1c-513d-4907-9b2d-4f5844f7a431
ORCID for Zheng Jiang: ORCID iD orcid.org/0000-0002-7972-6175
ORCID for Geoffrey Hyett: ORCID iD orcid.org/0000-0001-9302-9723
ORCID for Chung-Che Huang: ORCID iD orcid.org/0000-0003-3471-2463
ORCID for Daniel Hewak: ORCID iD orcid.org/0000-0002-2093-5773
ORCID for Sakellaris Mailis: ORCID iD orcid.org/0000-0001-8100-2670
ORCID for Zheng Jiang: ORCID iD orcid.org/0000-0002-7972-6175

Catalogue record

Date deposited: 22 Nov 2018 17:30
Last modified: 15 Aug 2019 00:55

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Contributors

Author: Junqiu Guo
Author: Zheng Jiang ORCID iD
Author: Xin Liao
Author: Ming-Hsien Lee
Author: Geoffrey Hyett ORCID iD
Author: Chung-Che Huang ORCID iD
Author: Daniel Hewak ORCID iD
Author: Wei Zhou
Author: Zheng Jiang ORCID iD

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