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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...

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Published in: Journal of Materials Chemistry A
ISSN: 2050-7488 2050-7496
Published: Royal Society of Chemistry (RSC) 2020
Online Access: Check full text

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.
College: College of Engineering
Issue: 42
Start Page: 22191
End Page: 22205