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<p>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.</p>

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Topological structure optimization of B,N-doped nanographenes for deep-blue emitters

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年5月26日

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  • Xiaosong Cao,
  • Xingyu Huang,
  • Jingsheng Miao,
  • Yuxi Guo,
  • Hongli Sun,
  • Chenliang Su,
  • Like Sun,
  • Yanglong Liao,
  • Zhi Chen,
  • Cheng Zhong,
  • Xue Zhou,
  • Yu Gu,
  • Hong Lin,
  • Xialei Lv,
  • Nengquan Li,
  • Zhongyan Huang,
  • Zhanxiang Chen,
  • Tao Hua,
  • Xiaojun Yin,
  • Yang Zou,
  • Chuluo Yang

摘要

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 × 106 s−1, outperforming the curved analogues. The corresponding OLED delivers an external quantum efficiency of 30.4% at 1000 cd m−2 with color coordinates of (0.127, 0.078), establishing conformation-guided design principles for high-performance narrowband emitters toward ultrahigh-definition displays.