Singlet Exciton Fission for Solar Cell Applications Energy Aspects of Interchromophore Coupling

Greyson, Eric C.
Stepp, Brian R.
Chen, Xudong
Schwerin, Andrew F.
Paci, Irina
Smith, Millicent B.
Akdağ, Akın
Johnson, Justin C.
Nozik, Arthur J.
Michl, Josef
Ratner, Mark A.
Singlet exciton fission, a process that converts one singlet exciton to a pair of triplet excitons has the potential to enhance the efficiency of both bulk heterojunction and dye-sensitized solar cells and is understood in crystals but not well understood in molecules Previous studies have identified promising building blocks for singlet fission in molecular systems but little work has investigated how these individual chromophores should be combined to maximize triplet yield We consider the effects of chemically connecting two chromophores to create a coupled chromophore pair and compute how various structural choices alter the thermodynamic and kinetic parameters likely to control singlet fission yield We use density functional theory to compute the electron transfer matrix element and the thermodynamics of fission for several promising chromophore pairs and find a trade-off between the desire to maximize this element and the desire to keep the singlet fission process exoergic We identify promising molecular systems for singlet fission and suggest future experiments


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Herein, we report the in situ generation, isolation and characterization of cobalt(0) nanoparticles, stabilized by poly(4-styrenesulfonic acid-co-maleic acid), PSSMA, and their catalytic activity in the hydrolysis of hydrazine borane (HB). Cobalt(0) nanoparticles having average particle size of 3.1 +/- 0.5 nm were prepared by in situ reduction of cobalt(II) chloride in aqueous solution of hydrazine borane in the presence of PSSMA, isolated magnetically from the catalytic reaction solution using a magnet, an...
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Electroinitiated polymerization of acrolein has been achieved by controlled potential electrolysis at the reduction peak potential of the monomer for direct electron transfer. Kinetics and type of mechanism of the polymerization have been investigated. the structure of the polymer has also been examined by IR spectroscopy. in a separate experiment, a small amount of CCI4 was added to a polymerization system. Since the reduction peak potential of CCI4 appears at a more anodic region than that of acrolein on ...
Citation Formats
E. C. Greyson et al., “Singlet Exciton Fission for Solar Cell Applications Energy Aspects of Interchromophore Coupling,” JOURNAL OF PHYSICAL CHEMISTRY B, pp. 14223–14232, 2010, Accessed: 00, 2020. [Online]. Available: