Abstract:Two series of dyes have been designed and theoretically characterized 18 through density functional theory (DFT) and time-dependent density functional theory 19 (TD-DFT) to systematically explore the structure-property relationship of dyes with 20 D-A-π-A architecture and the performance of dye-sensitized solar cells (DSSC), 21 particularly the influence of π-bridge, including its alkyl side chain, adding additional 22 conjugate spacer, displacement and separation of π-bridge. Key parameters associated 23 with… Show more
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