In order to attain the goal of improved solar cell efficiencies, singlet fission requires the use of materials that are not only nearly 100% efficient in splitting singlet excitation into two triplet excitations, but also meet a long list of other requirements, from the wavelength of absorption onset to stability in light and air.  A search for such materials calls for design guidelines, both for the choice of chromophores and for efforts to optimize their packing.  Using ethylene as a model system, we have searched the full six-dimensional space of mutual disposition of two rigid bodies and believe to have found all optimal geometries.  Their nature can be understood in terms of two simple design rules.  The effort is now being extended to other more practical chromophores. The project is supported by DOE grant DE-SC0007004.

Singlet fission: Optimal choice of mutual disposition of chromophores

253rd National Meeting (2017)

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