DOI: 10.1039/d6ra07369g ISSN: 2046-2069

A multifactorial DFT study of acceptor-tailored carbazole-based dyes with potential relevance to indoor DSSCs

Javeria Saeed, Riaz Hussain, Muhammad Durair Sajjad Haider, Maqbool Ahmad, Ajaz Hussain, Khurshid Ayub, Saleh S. Alarfaji

Acceptor engineering tunes carbazole–phenothiazine dyes, with J10 emerging as the most balanced candidate based on energy alignment, charge transport, exciton binding and TiO 2 interaction.

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