Defect engineering has received extensive attention as an effective method to tune the gas sensing properties of semiconductor materials. Here, defective WO₃ (D-WO₃) nanosheets were obtained by a simple hydrogenation process with a detection limit as low as 5 ppb for dimethyl trisulfide (DMTS) and a response of 2.3 times that of the initial WO₃ nanosheets to 100 ppb DMTS. Importantly, X-ray photoelectron spectroscopy and Raman spectroscopy confirmed the partial loss of oxygen atoms in D-WO₃ nanosheets, and density functional theory calculations found that the W sites near the oxygen defect showed higher adsorption energy for DMTS and transferred more electrons during the gas interaction, indicating that the active W site caused by oxygen atom loss can effectively enhance the reactivity of two-dimensional WO₃ nanosheets. Different from the traditional oxygen defect model, this work reveals the positive effect of active metal sites on gas sensing for the first time, which is expected to provide an effective reference for the sensing application of defect engineering in metal oxides.

中文翻译：

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缺陷工程促进的活性 W 位点增强了 WO3 纳米片的 C2H6S3 传感性能

缺陷工程作为一种调整半导体材料气敏特性的有效方法受到了广泛的关注。在这里，有缺陷的 WO ₃ (D-WO ₃ ) 纳米片是通过简单的氢化过程获得的，二甲基三硫化物 (DMTS) 的检测限低至 5 ppb，对 100 ppb 的响应是初始 WO ₃纳米片的 2.3 倍DMTS。重要的是，X 射线光电子能谱和拉曼光谱证实了 D-WO _{3中氧原子的部分损失}纳米片和密度泛函理论计算发现，氧缺陷附近的 W 位点对 DMTS 表现出更高的吸附能，并且在气体相互作用过程中转移了更多的电子，表明氧原子损失引起的活性 W 位点可以有效增强二三维WO ₃纳米片。有别于传统的氧缺陷模型，该工作首次揭示了活性金属位点对气体传感的积极作用，有望为金属氧化物缺陷工程的传感应用提供有效参考。