三乙胺
兴奋剂
材料科学
三氧化钼
密度泛函理论
吸附
选择性
化学工程
纳米技术
钼
光电子学
化学
物理化学
催化作用
有机化学
计算化学
冶金
工程类
作者
Ruixue Tian,Yun Ding,Qi Wang,Peng Song
标识
DOI:10.1016/j.snb.2024.135817
摘要
Triethylamine (TEA) as an excellent solvent, polymer inhibitor and preservative often appears in various places in industrial production, but its harm can not be underestimated. For the detection of TEA, molybdenum trioxide (MoO3) is a great gas-sensitive material, but its response and recovery time are long. In addressing improvements to MoO3, the paper introduced a method involving the introduction of the rare earth metal La and further pinpointed an optimal doping concentration strategy. In this paper, three-dimensional (3D) microspheres of La-doped MoO3 with different doping concentrations were synthesized using a facile hydrothermal method. Among these, the sensor based on 1 wt% La-doped MoO3 exhibits the highest gas-sensing response to TEA, with a response value of approximately 30–20 ppm TEA when the temperature is 240 ℃, accompanied by shortened response and recovery times of 10 and 29 s, respectively. Moreover, this doping level demonstrates excellent selectivity, reproducibility and long-term stability. The enhancement of gas-sensing performance is elucidated through the electron depletion layer theory and the increase in oxygen vacancies. Additionally, first-principles density functional theory (DFT) calculation was employed to deeply analyze the adsorption behavior of the MoO3 towards TEA before and after doping. This study provides valuable insights into the development of high-performance TEA sensors.
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