Scholarlink

<p>To investigate the room-temperature gas sensing performance of two-dimensional SnSe<sub>2</sub> toward various toxic and hazardous gases, the adsorption energies and electronic density of states (DOS) of SnSe<sub>2</sub> upon interaction with four typical gases (NO, NO<sub>2</sub>, H<sub>2</sub>S, and SO<sub>2</sub>) were calculated based on density functional theory (DFT). SnSe<sub>2</sub> gas sensors were fabricated via mechanical exfoliation and an all-dry transfer process, and their sensing properties were experimentally validated at room temperature. The results indicate that for the oxidizing gases NO and NO<sub>2</sub>, the adsorption energies on SnSe<sub>2</sub> were -4.22&#xa0;eV and -1.01&#xa0;eV, respectively, corresponding to sensor responses of 5.1% and 7.5%, with response times of 678&#xa0;s and 375&#xa0;s. For the reducing gases H<sub>2</sub>S and SO<sub>2</sub>, the adsorption energies were -0.31&#xa0;eV and -0.27&#xa0;eV, respectively, yielding responses of 15% and 6% with response times of 367&#xa0;s and 549&#xa0;s. Notably, the sensor demonstrated satisfactory repeatability and 30-day stability for H<sub>2</sub>S detection, exhibiting a 1% response to 1&#xa0;ppm H<sub>2</sub>S at 25&#xa0;°C and 50% relative humidity (RH), along with an excellent linearity (R<sup>2</sup> = 0.97) within the concentration range of 1 to 12.5&#xa0;ppm. The experimental and theoretical results collectively validate the great potential of SnSe<sub>2</sub> for gas sensing and highlight its unique room-temperature response behaviors to various gases.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Detection of NO, NO2, H2S, and SO2 by SnSe2 gas sensor at room temperature: DFT simulation and experimental validation

  • 期刊论文

  • 发表日期：

    2026年1月17日

查看全文
  • Yingyu Jin,
  • Mathankumar Manoharan,
  • Pinghua Li,
  • Xuye Zhuang

摘要

To investigate the room-temperature gas sensing performance of two-dimensional SnSe2 toward various toxic and hazardous gases, the adsorption energies and electronic density of states (DOS) of SnSe2 upon interaction with four typical gases (NO, NO2, H2S, and SO2) were calculated based on density functional theory (DFT). SnSe2 gas sensors were fabricated via mechanical exfoliation and an all-dry transfer process, and their sensing properties were experimentally validated at room temperature. The results indicate that for the oxidizing gases NO and NO2, the adsorption energies on SnSe2 were -4.22 eV and -1.01 eV, respectively, corresponding to sensor responses of 5.1% and 7.5%, with response times of 678 s and 375 s. For the reducing gases H2S and SO2, the adsorption energies were -0.31 eV and -0.27 eV, respectively, yielding responses of 15% and 6% with response times of 367 s and 549 s. Notably, the sensor demonstrated satisfactory repeatability and 30-day stability for H2S detection, exhibiting a 1% response to 1 ppm H2S at 25 °C and 50% relative humidity (RH), along with an excellent linearity (R2 = 0.97) within the concentration range of 1 to 12.5 ppm. The experimental and theoretical results collectively validate the great potential of SnSe2 for gas sensing and highlight its unique room-temperature response behaviors to various gases.