Photophysics of heteroatom-doped B,N multiple-resonance emitters: A computational investigation.
Boron/nitrogen multiple-resonance thermally activated delayed fluorescence (B/N MR-TADF) emitters offer high color purity, but accelerating reverse intersystem crossing (RISC) without sacrificing narrowband emission remains challenging. Here, 16 C-, O-, S-, and Se-containing B/N MR-TADF emitters with varied framework s...