Journal
SCIENCE ADVANCES
Volume 3, Issue 5, Pages -Publisher
AMER ASSOC ADVANCEMENT SCIENCE
DOI: 10.1126/sciadv.1603282
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Funding
- Development of Fundamental Evaluation Technology for Next-Generation Chemical Materials program
- International Institute for Carbon Neutral Energy Research - Ministry of Education, Culture, Sports, Science and Technology (MEXT) [WPI-I2CNER]
- Grants-in-Aid for Scientific Research [17H03137] Funding Source: KAKEN
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The design of organic compounds with nearly no gap between the first excited singlet (S-1) and triplet (T-1) states has been demonstrated to result in an efficient spin-flip transition from the T-1 to S-1 state, that is, reverse intersystem crossing (RISC), and facilitate light emission as thermally activated delayed fluorescence (TADF). However, many TADF molecules have shown that a relatively appreciable energy difference between the S-1 and T-1 states (similar to 0.2 eV) could also result in a high RISC rate. We revealed from a comprehensive study of optical properties of TADF molecules that the formation of delocalized states is the key to efficient RISC and identified a chemical template for these materials. In addition, simple structural confinement further enhances RISC by suppressing structural relaxation in the triplet states. Our findings aid in designing advanced organic molecules with a high rate of RISC and, thus, achieving the maximum theoretical electroluminescence efficiency in organic light-emitting diodes.
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