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Novel benzothiazole half-squaraines: model chromophores to study dye–TiO2 interactions in dye-sensitized solar cells

Peter Holliman Orcid Logo, Christopher P. Kershaw, Eurig W. Jones, Diana Meza-Rojas, Anthony Lewis, James McGettrick Orcid Logo, Dawn Geatches, Kakali Sen, Sebastian Metz, Graham J. Tizzard, Simon J. Coles

Journal of Materials Chemistry A, Volume: 8, Issue: 42, Pages: 22191 - 22205

Swansea University Authors: Peter Holliman Orcid Logo, James McGettrick Orcid Logo

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DOI (Published version): 10.1039/d0ta06016j

Abstract

We report the synthesis of 9 new half squaraine (HfSQ) dyes; 5 containing a benzothiazole moiety and 4 containing an indolenine moiety. X-ray single crystal structural and characterisation data have been correlated with device data to understand the widely reported but poorly understood influence of...

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Published in: Journal of Materials Chemistry A
ISSN: 2050-7488 2050-7496
Published: Royal Society of Chemistry (RSC) 2020
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URI: https://cronfa.swan.ac.uk/Record/cronfa55389
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spelling 2021-12-01T13:56:46.6963492 v2 55389 2020-10-09 Novel benzothiazole half-squaraines: model chromophores to study dye–TiO2 interactions in dye-sensitized solar cells c8f52394d776279c9c690dc26066ddf9 0000-0002-9911-8513 Peter Holliman Peter Holliman true false bdbacc591e2de05180e0fd3cc13fa480 0000-0002-7719-2958 James McGettrick James McGettrick true false 2020-10-09 MTLS We report the synthesis of 9 new half squaraine (HfSQ) dyes; 5 containing a benzothiazole moiety and 4 containing an indolenine moiety. X-ray single crystal structural and characterisation data have been correlated with device data to understand the widely reported but poorly understood influence of S heteroatoms on DSC device performance. The S heteroatom in these new dyes has also been used as an atomic probe of the dye–TiO2 interface to dye binding and orientation. Thus, for the first time, using the S heteroatom probe, angle-resolved X-ray photoelectron (AR-XPS) data have shown these dyes sit horizontally at the dye–TiO2 interface confirmed by DFT computer modelling of novel and analogous HfSQ dyes with a benzoindole backbone. Journal Article Journal of Materials Chemistry A 8 42 22191 22205 Royal Society of Chemistry (RSC) 2050-7488 2050-7496 20 10 2020 2020-10-20 10.1039/d0ta06016j COLLEGE NANME Materials Science and Engineering COLLEGE CODE MTLS Swansea University UKRI, EP/P030068/1 2021-12-01T13:56:46.6963492 2020-10-09T14:54:07.9239123 Faculty of Science and Engineering School of Engineering and Applied Sciences - Materials Science and Engineering Peter Holliman 0000-0002-9911-8513 1 Christopher P. Kershaw 2 Eurig W. Jones 3 Diana Meza-Rojas 4 Anthony Lewis 5 James McGettrick 0000-0002-7719-2958 6 Dawn Geatches 7 Kakali Sen 8 Sebastian Metz 9 Graham J. Tizzard 10 Simon J. Coles 11 55389__18501__900cd532ea0f4f0a95575cda64721b33.pdf 55389.VOR.pdf 2020-10-26T19:03:17.5759547 Output 1624933 application/pdf Version of Record true Distributed under the terms of a Creative Commons Attribution 4.0 (CC-BY) License. true eng https://creativecommons.org/licenses/by/4.0/
title Novel benzothiazole half-squaraines: model chromophores to study dye–TiO2 interactions in dye-sensitized solar cells
spellingShingle Novel benzothiazole half-squaraines: model chromophores to study dye–TiO2 interactions in dye-sensitized solar cells
Peter Holliman
James McGettrick
title_short Novel benzothiazole half-squaraines: model chromophores to study dye–TiO2 interactions in dye-sensitized solar cells
title_full Novel benzothiazole half-squaraines: model chromophores to study dye–TiO2 interactions in dye-sensitized solar cells
title_fullStr Novel benzothiazole half-squaraines: model chromophores to study dye–TiO2 interactions in dye-sensitized solar cells
title_full_unstemmed Novel benzothiazole half-squaraines: model chromophores to study dye–TiO2 interactions in dye-sensitized solar cells
title_sort Novel benzothiazole half-squaraines: model chromophores to study dye–TiO2 interactions in dye-sensitized solar cells
author_id_str_mv c8f52394d776279c9c690dc26066ddf9
bdbacc591e2de05180e0fd3cc13fa480
author_id_fullname_str_mv c8f52394d776279c9c690dc26066ddf9_***_Peter Holliman
bdbacc591e2de05180e0fd3cc13fa480_***_James McGettrick
author Peter Holliman
James McGettrick
author2 Peter Holliman
Christopher P. Kershaw
Eurig W. Jones
Diana Meza-Rojas
Anthony Lewis
James McGettrick
Dawn Geatches
Kakali Sen
Sebastian Metz
Graham J. Tizzard
Simon J. Coles
format Journal article
container_title Journal of Materials Chemistry A
container_volume 8
container_issue 42
container_start_page 22191
publishDate 2020
institution Swansea University
issn 2050-7488
2050-7496
doi_str_mv 10.1039/d0ta06016j
publisher Royal Society of Chemistry (RSC)
college_str Faculty of Science and Engineering
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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 - Materials Science and Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Materials Science and Engineering
document_store_str 1
active_str 0
description We report the synthesis of 9 new half squaraine (HfSQ) dyes; 5 containing a benzothiazole moiety and 4 containing an indolenine moiety. X-ray single crystal structural and characterisation data have been correlated with device data to understand the widely reported but poorly understood influence of S heteroatoms on DSC device performance. The S heteroatom in these new dyes has also been used as an atomic probe of the dye–TiO2 interface to dye binding and orientation. Thus, for the first time, using the S heteroatom probe, angle-resolved X-ray photoelectron (AR-XPS) data have shown these dyes sit horizontally at the dye–TiO2 interface confirmed by DFT computer modelling of novel and analogous HfSQ dyes with a benzoindole backbone.
published_date 2020-10-20T04:09:33Z
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score 11.01306

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