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The photophysical properties of a series of naphthodithiophene-based dyes are systematically studied by Yu-Ai Duan, Yun Geng, Hai-Bin Li, Jun-Ling Jin, Yong Wu, and Zhong-Min Su on page 1611. Density functional theory calculations are used to evaluate their potential as a candidate of donor materials in heterojunction organic solar cells. Molecules with naphthobisthiadiazole as the acceptor fragment show excellent performance and may become a promising donor candidate.