Influence of oligothiophene-functionalized co-sensitizer on the electron injection efficiency for multiple dye-TiO2 interface

摘要: Abstract Co-sensitizer has been employed in dye-sensitized solar cells (DSSCs) to enhance light harvesting at organic/inorganic heterogeneous. Here, the multiple dyes@TiO 2 interface investigated by density functional theory simulations, explore role of varied oligothiophene-functionalized co-sensitizers on electron injection efficiency. In presence co-sensitizers, simulated absorption spectra broaden with increasing number thiophene from 0, 1, 2. Meanwhile, co-sensitizer modifies energy alignment interface, and influences electronic coupling between dye TiO . Critically, ratio electron-hole recombination rates k rec / inj based Marcus for both decrease significantly oligothiophene, resulting improved Our result implies that efficiency depends largely, appropriate plays an active tuning properties hybrid heterostructure.