In recent years, the performance research of perovskite materials is not only concentrated in the field of solar cells or optics, but the field of gas sensing has gradually entered the public view. However, the detection of nitric oxide (NO) by lead-free halide perovskites has not yet been reported. Herein, we use Cs₂PtI₆ to realize the first example of a halide perovskite applied to NO sensing. Due to favoring Pt–N binding, the material has some excellent properties such as a NO detection limit as low as 100 parts-per-billion (ppb), ultrahigh selectivity to NO, and can work at room temperature for more than 2 months. In situ sum frequency generation (SFG) spectra and crystal orbital Hamilton population (COHP) analysis reveal that the strong bonding interaction between Pt 5s and N 2s ensure the high adsorption energy, and Pt 5d electron back donation to N 2p_x, N 2p_z antibonding causes the conductive change of the sensors. In addition, its flexible wearable technology shows the application potential of the device and promotes the further development of perovskite materials.

中文翻译：

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无铅卤化物 Cs2PtI6 钙钛矿有利于 Pt-N 键合用于痕量 NO 检测

近年来，钙钛矿材料的性能研究不仅集中在太阳能电池或光学领域，气体传感领域也逐渐走入大众视野。然而，通过无铅卤化物钙钛矿检测一氧化氮（NO）的报道尚未见报道。这里，我们使用 Cs ₂ PtI ₆实现卤化物钙钛矿应用于 NO 传感的第一个例子。由于有利于 Pt-N 结合，该材料具有一些优异的性能，例如低至 100 ppb 的 NO 检测限、对 NO 的超高选择性，并且可以在室温下工作 2 个月以上。原位和频发生（SFG）光谱和晶体轨道哈密顿布居（COHP）分析表明，Pt 5s和N 2s之间的强键相互作用确保了高吸附能，Pt 5d电子回赠给N 2p _x，N 2p _z反键合导致传感器的导电变化。此外，其柔性可穿戴技术展示了该器件的应用潜力，推动了钙钛矿材料的进一步发展。