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