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Novel benzothiazole half-squaraines: model chromophores to study dye–TiO2 interactions in dye-sensitized solar cells / 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
Journal of Materials Chemistry A, Volume: 8, Issue: 42, Pages: 22191 - 22205
Swansea University Authors: Peter Holliman, James McGettrick
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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...
| Published in: | Journal of Materials Chemistry A |
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| ISSN: | 2050-7488 2050-7496 |
| Published: |
Royal Society of Chemistry (RSC)
2020
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| Online Access: |
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| URI: | https://cronfa.swan.ac.uk/Record/cronfa55389 |
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| 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 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. |
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| College: |
College of Engineering |
| Funders: |
UKRI, EP/P030068/1 |
| Issue: |
42 |
| Start Page: |
22191 |
| End Page: |
22205 |