Matches in SemOpenAlex for { <https://semopenalex.org/work/W4360976248> ?p ?o ?g. }
- W4360976248 abstract "Singlet fission is of key importance in harvesting solar energy in solar cells, as it generates a pair of triplet excitons on the incidence of a photon. This phenomenon is not yet widely employed in the organic photovoltaics industry mostly because of the rarity of singlet fission chromophores. Pyrazino[2,3-g]quinoxaline-1,4,6,9-tetraoxide was recently designed as the smallest intramolecular singlet fission chromophore, and it undergoes the fastest singlet fission with a 16 fs time scale. The subsequent separation of the generated triplet-pair is of likewise importance as their efficient generation. Through quantum chemistry calculations and quantum dynamics simulations, we show that the triplet-pair separates to residing on two chromophores with an ∼80% probability on each collision between a chromophore with the triplet-pair and a ground state chromophore. Avoided crossing, instead of conical intersection, is involved in the efficient exciton separation." @default.
- W4360976248 created "2023-03-30" @default.
- W4360976248 creator A5062611755 @default.
- W4360976248 creator A5071974200 @default.
- W4360976248 date "2023-03-26" @default.
- W4360976248 modified "2023-10-16" @default.
- W4360976248 title "Triplet Separation after the Fastest Intramolecular Singlet Fission in the Smallest Chromophore" @default.
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- W4360976248 doi "https://doi.org/10.1021/acs.jctc.3c00096" @default.
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- W4360976248 hasPublicationYear "2023" @default.
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