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Photocatalytic Degradation of Rhodamine B Dye and Hydrogen Evolution by Hydrothermally Synthesized NaBH4—Spiked ZnS Nanostructures

Theopolina Amakali, Aleksandar Živković, Michael Warwick Orcid Logo, Daniel Raymond Jones Orcid Logo, Charlie Dunnill Orcid Logo, Likius S. Daniel, Veikko Uahengo, Claire E. Mitchell, Nelson Y. Dzade, Nora H. de Leeuw

Frontiers in Chemistry, Volume: 10

Swansea University Authors: Michael Warwick Orcid Logo, Daniel Raymond Jones Orcid Logo, Charlie Dunnill Orcid Logo

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DOI (Published version): 10.3389/fchem.2022.835832

Abstract

Metal sulphides, including zinc sulphide (ZnS), are semiconductor photocatalysts that have been investigated for the photocatalytic degradation of organic pollutants as well as their activity during the hydrogen evolution reaction and water splitting. However, devising ZnS photocatalysts with a high...

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ISSN: 2296-2646
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Considerable differences in the defect level positions were observed between the bulk and surface of ZnS while the adsorption of NaBH4 was found to be highly favourable but without any significant effect on the band gap of ZnS. The photocatalytic activity of ZnS was evaluated for the degradation of rhodamine B dye under UV irradiation and hydrogen generation from water. The ZnS nanoparticles photo-catalytically degraded Rhodamine B dye effectively, with the sample containing 0.01 mol NaBH4 being the most efficient. The samples also showed activity for hydrogen evolution, but with less H2 produced compared to when untreated samples of ZnS were used. 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spelling 2022-08-25T14:58:35.2611433 v2 60741 2022-08-05 Photocatalytic Degradation of Rhodamine B Dye and Hydrogen Evolution by Hydrothermally Synthesized NaBH4—Spiked ZnS Nanostructures 9fdabb7283ffccc5898cc543305475cf 0000-0002-9028-1250 Michael Warwick Michael Warwick true false 7f3a1d866625502ae897ad1672096818 NULL Daniel Raymond Jones Daniel Raymond Jones true true 0c4af8958eda0d2e914a5edc3210cd9e 0000-0003-4052-6931 Charlie Dunnill Charlie Dunnill true false 2022-08-05 FGSEN Metal sulphides, including zinc sulphide (ZnS), are semiconductor photocatalysts that have been investigated for the photocatalytic degradation of organic pollutants as well as their activity during the hydrogen evolution reaction and water splitting. However, devising ZnS photocatalysts with a high overall quantum efficiency has been a challenge due to the rapid recombination rates of charge carriers. Various strategies, including the control of size and morphology of ZnS nanoparticles, have been proposed to overcome these drawbacks. In this work, ZnS samples with different morphologies were prepared from zinc and sulphur powders via a facile hydrothermal method by varying the amount of sodium borohydride used as a reducing agent. The structural properties of the ZnS nanoparticles were analysed by X-ray diffraction (XRD), scanning electron microscopy (SEM), and X-ray photoelectron spectroscopy (XPS) techniques. All-electron hybrid density functional theory calculations were employed to elucidate the effect of sulphur and zinc vacancies occurring in the bulk as well as (220) surface on the overall electronic properties and absorption of ZnS. Considerable differences in the defect level positions were observed between the bulk and surface of ZnS while the adsorption of NaBH4 was found to be highly favourable but without any significant effect on the band gap of ZnS. The photocatalytic activity of ZnS was evaluated for the degradation of rhodamine B dye under UV irradiation and hydrogen generation from water. The ZnS nanoparticles photo-catalytically degraded Rhodamine B dye effectively, with the sample containing 0.01 mol NaBH4 being the most efficient. The samples also showed activity for hydrogen evolution, but with less H2 produced compared to when untreated samples of ZnS were used. These findings suggest that ZnS nanoparticles are effective photocatalysts for the degradation of rhodamine B dyes as well as the hydrogen evolution, but rapid recombination of charge carriers remains a factor that needs future optimization. Journal Article Frontiers in Chemistry 10 Frontiers Media SA 2296-2646 ZnS, photocatalysis, rhodamine B degradation, NaBH4 adsorption, density functional theory, HSE06,defect states, sulphur vacancies 14 4 2022 2022-04-14 10.3389/fchem.2022.835832 COLLEGE NANME Science and Engineering - Faculty COLLEGE CODE FGSEN Swansea University This work was performed using the computational facilities of the Centre for High Performance Computing in Cape Town (CHPC) and the Dutch national e-infrastructure with the support of SURF Cooperative. Via our membership of the UK’s HEC Materials Chemistry Consortium, which is funded by EPSRC (EP/R029431), this work used the ARCHER2 United Kingdom National Supercomputing Service (http://www.archer2.ac.uk). AŽ and NL acknowledge the NWO ECHO grant (712.018.005) for funding. 2022-08-25T14:58:35.2611433 2022-08-05T12:16:13.7181329 Faculty of Science and Engineering School of Engineering and Applied Sciences - Uncategorised Theopolina Amakali 1 Aleksandar Živković 2 Michael Warwick 0000-0002-9028-1250 3 Daniel Raymond Jones NULL 4 Charlie Dunnill 0000-0003-4052-6931 5 Likius S. Daniel 6 Veikko Uahengo 7 Claire E. Mitchell 8 Nelson Y. Dzade 9 Nora H. de Leeuw 10 60741__24861__aa8e86ad4ea445a0a243b6d9b13d5ac4.pdf 60741.pdf 2022-08-05T12:18:35.6332545 Output 4656347 application/pdf Version of Record true Copyright © 2022 Amakali, Živković, Warwick, Jones, Dunnill, Daniel, Uahengo, Mitchell, Dzade and de Leeuw. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY) true eng http://creativecommons.org/licenses/by/4.0/
title Photocatalytic Degradation of Rhodamine B Dye and Hydrogen Evolution by Hydrothermally Synthesized NaBH4—Spiked ZnS Nanostructures
spellingShingle Photocatalytic Degradation of Rhodamine B Dye and Hydrogen Evolution by Hydrothermally Synthesized NaBH4—Spiked ZnS Nanostructures
Michael Warwick
Daniel Raymond Jones
Charlie Dunnill
title_short Photocatalytic Degradation of Rhodamine B Dye and Hydrogen Evolution by Hydrothermally Synthesized NaBH4—Spiked ZnS Nanostructures
title_full Photocatalytic Degradation of Rhodamine B Dye and Hydrogen Evolution by Hydrothermally Synthesized NaBH4—Spiked ZnS Nanostructures
title_fullStr Photocatalytic Degradation of Rhodamine B Dye and Hydrogen Evolution by Hydrothermally Synthesized NaBH4—Spiked ZnS Nanostructures
title_full_unstemmed Photocatalytic Degradation of Rhodamine B Dye and Hydrogen Evolution by Hydrothermally Synthesized NaBH4—Spiked ZnS Nanostructures
title_sort Photocatalytic Degradation of Rhodamine B Dye and Hydrogen Evolution by Hydrothermally Synthesized NaBH4—Spiked ZnS Nanostructures
author_id_str_mv 9fdabb7283ffccc5898cc543305475cf
7f3a1d866625502ae897ad1672096818
0c4af8958eda0d2e914a5edc3210cd9e
author_id_fullname_str_mv 9fdabb7283ffccc5898cc543305475cf_***_Michael Warwick
7f3a1d866625502ae897ad1672096818_***_Daniel Raymond Jones
0c4af8958eda0d2e914a5edc3210cd9e_***_Charlie Dunnill
author Michael Warwick
Daniel Raymond Jones
Charlie Dunnill
author2 Theopolina Amakali
Aleksandar Živković
Michael Warwick
Daniel Raymond Jones
Charlie Dunnill
Likius S. Daniel
Veikko Uahengo
Claire E. Mitchell
Nelson Y. Dzade
Nora H. de Leeuw
format Journal article
container_title Frontiers in Chemistry
container_volume 10
publishDate 2022
institution Swansea University
issn 2296-2646
doi_str_mv 10.3389/fchem.2022.835832
publisher Frontiers Media SA
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Engineering and Applied Sciences - Uncategorised{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Uncategorised
document_store_str 1
active_str 0
description Metal sulphides, including zinc sulphide (ZnS), are semiconductor photocatalysts that have been investigated for the photocatalytic degradation of organic pollutants as well as their activity during the hydrogen evolution reaction and water splitting. However, devising ZnS photocatalysts with a high overall quantum efficiency has been a challenge due to the rapid recombination rates of charge carriers. Various strategies, including the control of size and morphology of ZnS nanoparticles, have been proposed to overcome these drawbacks. In this work, ZnS samples with different morphologies were prepared from zinc and sulphur powders via a facile hydrothermal method by varying the amount of sodium borohydride used as a reducing agent. The structural properties of the ZnS nanoparticles were analysed by X-ray diffraction (XRD), scanning electron microscopy (SEM), and X-ray photoelectron spectroscopy (XPS) techniques. All-electron hybrid density functional theory calculations were employed to elucidate the effect of sulphur and zinc vacancies occurring in the bulk as well as (220) surface on the overall electronic properties and absorption of ZnS. Considerable differences in the defect level positions were observed between the bulk and surface of ZnS while the adsorption of NaBH4 was found to be highly favourable but without any significant effect on the band gap of ZnS. The photocatalytic activity of ZnS was evaluated for the degradation of rhodamine B dye under UV irradiation and hydrogen generation from water. The ZnS nanoparticles photo-catalytically degraded Rhodamine B dye effectively, with the sample containing 0.01 mol NaBH4 being the most efficient. The samples also showed activity for hydrogen evolution, but with less H2 produced compared to when untreated samples of ZnS were used. These findings suggest that ZnS nanoparticles are effective photocatalysts for the degradation of rhodamine B dyes as well as the hydrogen evolution, but rapid recombination of charge carriers remains a factor that needs future optimization.
published_date 2022-04-14T04:19:06Z
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