Details

Autor(en) / Beteiligte

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

Titel

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

Ist Teil von

• Journal of materials chemistry. A, Materials for energy and sustainability, 2020-11, Vol.8 (42), p.22191-2225

Erscheinungsjahr

2020

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• 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-TiO 2 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-TiO 2 interface confirmed by DFT computer modelling of novel and analogous HfSQ dyes with a benzoindole backbone. DFT and AR-XPS have been used to study dye:TiO 2 orientations is dye-sensitized solar cells using the sulphur atoms in bespoke half-squaraine dyes as atomic labels.