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Novel Phenothiazine-Based Organic Dyes with a Heteroleptic Dual-Electron-Acceptor for Dye-Sensitized Solar Cells

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Abstract:

We designed a novel organic dye with a heteroleptic dual-electron acceptor (cyanocrylic acid and rhodanine-acetic acid) on each side of a phenothiazine-based organic dye as a photosensitizer for dye-sensitized solar cells (DSSCs). Density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations were used to estimate the photovoltaic properties of the dyes, with the findings showing that the organic dyes when used in the heteroleptic dual-electron-acceptor type resulted in higher performance than their single electron-acceptor and homoleptic dual-electron-acceptor counterparts due to the higher molar extinction coefficients and the orientation of the adsorbed dye. It was attributed to relatively broad and intense absorption spectra in the visible region with the rhodanine-acetic acid moiety and abundant electronic coupling with TiO2 of the cyanoacrylic acid anchoring group.

Document Type: Research Article

DOI: https://doi.org/10.1166/jnn.2012.5564

Publication date: 2012-04-01

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  • Journal for Nanoscience and Nanotechnology (JNN) is an international and multidisciplinary peer-reviewed journal with a wide-ranging coverage, consolidating research activities in all areas of nanoscience and nanotechnology into a single and unique reference source. JNN is the first cross-disciplinary journal to publish original full research articles, rapid communications of important new scientific and technological findings, timely state-of-the-art reviews with author's photo and short biography, and current research news encompassing the fundamental and applied research in all disciplines of science, engineering and medicine.
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