title: Singlet fission for dye-sensitized solar cells: can a suitable sensitizer be found?
abstract: 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(T2), E(S1) > 2E(T1). 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.
authors.affiliation: Department of Chemistry and Materials Research Center, Northwestern University, Evanston, IL 60208, USA.
authors.forename: Irina
authors.initials: I
authors.lastname: Paci
authors.forename: Justin C
authors.initials: JC
authors.lastname: Johnson
authors.forename: Xudong
authors.initials: X
authors.lastname: Chen
authors.forename: Geeta
authors.initials: G
authors.lastname: Rana
authors.forename: Duska
authors.initials: D
authors.lastname: Popović
authors.forename: Donald E
authors.initials: DE
authors.lastname: David
authors.forename: Arthur J
authors.initials: AJ
authors.lastname: Nozik
authors.forename: Mark A
authors.initials: MA
authors.lastname: Ratner
authors.forename: Josef
authors.initials: J
authors.lastname: Michl