Journal of Molecular Modeling· 2026Q2
(TD)DFT investigation of donor influence on the electronic and photovoltaic properties of D-π-A-π-A quinoxaline dyes
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- Q2SCImago
- 2026year
Short summary
A TDDFT study reveals that the triphenylamine (TPA) donor group in quinoxaline dyes (QX-TPA) significantly enhances photovoltaic properties compared to a dimethylamine (DMA) donor (QX-DMA), leading to nearly double the power conversion efficiency.
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Renewable Energy, Sustainability and the EnvironmentEnergy