Metal-free perovskites (MFPs) have recently become a newcomer in X-ray detection due to their flexibility and low toxicity characteristics. However, their photoelectronic properties and stability should be further improved mainly through materials design. Here, the aminoazanium of DABCO²⁺ was developed for the preparation of NDABCO-NH₄Br₃ (NDABCO = N-amino-N′-diazabicyclo[2.2.2]octonium) single crystals (SCs), and its physical properties, intermolecular interactions, and device performance were systematically explored. Notably, NDABCO-NH₄Br₃ can achieve improved stability by enlarging defect formation energy and inducing abundant intermolecular forces. Moreover, the slight lattice distortion could ensure the weakening electron–phonon coupling for improving carrier transport. In particular, the slight lattice distortion after the long-chain NDABCO²⁺ introduction could retard thermal expansion for the preparation of high-quality crystals. Finally, the corresponding X-ray detector delivered a moderate sensitivity of 623.3 μC Gy_air^–1 cm^–2. This work provides a novel strategy through rationally designed organic cations to balance the material stability and device performance.

中文翻译：

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无金属卤化物钙钛矿单晶中 A 位阳离子的氨基氮氮，可减少热膨胀，实现高效 X 射线检测

无金属钙钛矿 (MFP) 由于其灵活性和低毒性特性，最近成为 X 射线检测领域的新成员。然而，它们的光电性能和稳定性主要通过材料设计来进一步提高。这里，开发了DABCO ²⁺的氨基氮鎓用于制备NDABCO-NH ₄ Br ₃ (NDABCO = N-氨基-N'-二氮杂双环[2.2.2]辛鎓)单晶(SCs)，及其物理性质、分子间系统地探讨了交互和设备性能。值得注意的是，NABCO-NH ₄ Br ₃可以通过增大缺陷形成能和诱导丰富的分子间力来提高稳定性。此外，轻微的晶格畸变可以确保减弱电子-声子耦合，从而改善载流子传输。特别是，长链NDABCO ²⁺引入后的轻微晶格畸变可以延缓热膨胀，从而制备高质量晶体。最后，相应的 X 射线探测器提供了 623.3 μC Gy _air ^–1 cm ^–2的中等灵敏度。这项工作提供了一种通过合理设计有机阳离子来平衡材料稳定性和器件性能的新颖策略。