Abstract:Singlet fission (SF) could potentially generate two triplet excitations from the absorption of a single photon, which can be applied to significantly enhance the energy conversion efficiency of solar cells. Efficiency of SF for molecular dimers depend on couplings between electronic configurations, however, available theoretical methods for quantitative evaluations of these couplings often require high computational cost and thus it is still difficult to explore geometrical dependence of SF performance for mol… Show more
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