Singlet Fission for Dye-Sensitized Solar Cells: Can a Suitable Sensitizer Be Found?

摘要

We discuss possible improvements in the efficiency of dye-sensitized photovoltaic cells using dyes capable of singlet fission into two triplets,thus producing two electron-hole pairs from a single photon.It is pointed out that,in addition to derivatives of large alternant hydrocarbons,those of biradicals are also likely candidates for a favorable ordering of excited-state energy levels,E(T_2),E(S_1) > 2E(T_1).A large number of potentially favorable structures has been examined by the semiempirical Pariser-Parr-Pople method and some also by the time-dependent density functional theory method.Several likely candidates have been identified for experimental examination