Topological structure optimization of B,N-doped nanographenes for deep-blue emitters.
basic_science · Level V
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- Record sourced from PubMed, PMID 42191713.
- Also identified by DOI 10.1038/s41467-026-73679-9.
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Abstract
B,N-doped nanographenes are promising blue OLED dopants owing to their narrowband emission and triplet-exciton harvesting capability, but their inefficient reverse intersystem crossing (RISC) remains a bottleneck for practical applications. Although π-extension is widely used to accelerate RISC and improve color purity, the role of molecular topology remains unclear. Here we report three deep-blue, quadruple-borylated nanographenes with isomeric skeletons and topology-dependent conformations ranging from negatively curved to quasi-planar. Combined theoretical and experimental studies reveal that enhanced planarity can facilitate the resonance effect, promote charge-transfer delocalization, and increase structural rigidity. Consequently, the most planarized emitter achieves an ultranarrow emission bandwidth of 13 nm/0.07 eV and a high RISC rate constant of 2.7 × 10<sup>6 </sup>s<sup>-1</sup>, outperforming the curved analogues. The corresponding OLED delivers an external quantum efficiency of 30.4% at 1000 cd m<sup>-2</sup> with color coordinates of (0.127, 0.078), establishing conformation-guided design principles for high-performance narrowband emitters toward ultrahigh-definition displays.