Article Dans Une Revue Applied Surface Science Année : 2022

Computational assisted tuning of Co-doped TiO2 nanoparticles for ammonia detection at room temperatures

Résumé

Improved gas sensors based on pure anatase TiO 2 and Co-doped TiO 2 nanoparticles were evaluated. A cobalt- doped TiO 2 nanoparticle with a diameter of 40 nm was first synthesized. The morphology of the nano­ particles was analyzed by X-ray diffraction, transmission electron microscopy, scanning electron microscopy, and X-ray photoelectron spectroscopy. The doped Co ion was confirmed to have entered the TiO 2 lattice. Subse­ quently, gas sensors with different Co-doping concentrations were developed to investigate gas sensitivity to NH 3 . Compared with pure anatase TiO 2 operating at 180 ◦ C, Co-doped TiO 2 samples were developed as NH 3 gas sensors operating at room temperature. The 20% Co-doped sample exhibited the best performance, with a response value of 14 for 50 ppm NH 3 , which was 7 times higher than that of pure TiO 2 . The response and re­ covery times of the sensor were only 25 and 48 s, respectively, and exhibited both good stability and selectivity. Based on density functional theory (DFT), the calculated bandgap of Co-doped TiO 2 decreased by 72% compared to pure TiO 2 . Structural simulation and mechanism analysis elucidated the good gas-sensing performance at room temperature and the property enhancement of the Co-doped TiO 2 gas sensor.

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Dates et versions

hal-04617728 , version 1 (19-06-2024)

Identifiants

Citer

Yifan Chen, Ji Wu, Zhiwu Xu, Wenhao Shen, Ying Wu, et al.. Computational assisted tuning of Co-doped TiO2 nanoparticles for ammonia detection at room temperatures. Applied Surface Science, 2022, 601, pp.154214. ⟨10.1016/j.apsusc.2022.154214⟩. ⟨hal-04617728⟩
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