A theoretical investigation of heavy atom and oxidation effects in MR-TADF emitters for OLEDs: a combined DFT, double hybrid DFT, CCSD, and QM/MM approaches?

已完结 10 由粥粥发布于 2026/5/8 16:15:04

DOI:10.1039/D5CP00033E
作者：Singaravel Nathiya, Murugesan Panneerselvam and Luciano T. Costa
文献类型：期刊论文
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Royal Society of Chemistry (RSC)

Abstract：The emerging multi-resonance thermally activated delayed fluorescence (MR-TADF) emitters with organoboron and nitrogen cores highlight their significance in OLEDs. However, their efficiency

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