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      Thiophene and its sulfur inhibit indenoindenodibenzothiophene diradicals from low-energy lying thermal triplets

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          Most cited references44

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          Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

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            Diradicals.

            Manabu Abe (2013)
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              Recent advances in singlet fission.

              A survey is provided of recent progress in the understanding of singlet fission, a spin-allowed process in which a singlet excited molecule shares its energy with a ground-state neighbor to produce two triplet excited molecules. It has been observed to occur in single-crystal, polycrystalline, and amorphous solids, on timescales from 80 fs to 25 ps, producing triplet yields as high as 200%. Photovoltaic devices using the effect have shown external quantum efficiencies in excess of 100%. Almost all the efficient materials are alternant hydrocarbons of the acene series or their simple derivatives, and it is argued that a wider structural variety would be desirable. The current state of the development of molecular structure design rules, based on first-principles theoretical considerations, is described along with initial examples of implementation.
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                Author and article information

                Journal
                Nature Chemistry
                Nature Chem
                Springer Nature America, Inc
                1755-4330
                1755-4349
                September 17 2018
                Article
                10.1038/s41557-018-0133-5
                30224686
                36d45032-5257-4c5e-a1a1-cab12ed930a3
                © 2018

                http://www.springer.com/tdm

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