Li Y1, Sun C2, Song P3, Ma F, Yang Y4.
Chemphyschem. 2016 Dec 25. doi: 10.1002/cphc.201601101. [Epub ahead of print]A series of dyes, containing thiophene and thieno[3,2-b]thiophene as π-conjugated bridges and six kinds of groups as electron acceptors, were designed for dye-sensitized solar cells. The ground and excited state properties of designed dyes were investigated via density functional theory and time-dependent DFT, respectively. Moreover, the parameters affecting the short-circuit current density and open circuit voltage were calculated to predict the photoelectric performance of dye. Read More