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• W2589072019 abstract "Molecules composed of different donors and acceptors are theoretically designed as potential thermally activated delayed fluorescence emitters, and their singlet–triplet (S-T) energy gap is studied using the optimal Hartree–Fork method. It is found that the S-T energy gap is in reverse proportional to the electron-donating ability. Stronger electron-donating ability of donors will induce smaller highest occupied molecular orbital–lowest unoccupied molecular orbital overlap and also a smaller S-T energy gap. Based on our calculation results, three molecules are proposed to have great potential to be used as thermally activated delayed fluorescence emitters in organic light-emitting diodes." @default.
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• W2589072019 date "2017-02-13" @default.
• W2589072019 modified "2023-10-17" @default.
• W2589072019 title "Influence of donor and acceptor groups on the S-T energy gap for thermally activated delayed fluorescence emitters" @default.
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• W2589072019 doi "https://doi.org/10.1080/00268976.2017.1287969" @default.
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