Enhanced H2S sensing performance of carbon-modified WO3 nanocomposite based sensor: experiments and DFT calculation

Hydrogen Sulfide (H 2 S) gas can cause physiological discomfort at low concentrations and is lethal at high concentrations. It is one of the major pollutants in the petrochemical industry. In this article, carbon-modified WO 3 nanoparticle gas-sensitive sensing materials were synthesized using the hydrothermal method, and high-performance H 2 S gas-sensitive sensing devices were fabricated. At a doping ratio of 2:3, the optimal working temperature for the carbon-modified WO 3 (C-WO 3 ) nanoparticles is 160 °C. It exhibits a response value of 23.7 for 10 ppm of H 2 S gas, with a response and recovery time of 6 s/64 s. The material demonstrates excellent selectivity, repeatability, and long-term stability for detecting H 2 S gas. These outstanding performance characteristics make it a promising candidate for H 2 S gas detection applications. This modification enhances the material’s gas-sensing performance and its resistance to interference. Finally, first-principles calculations revealed the mechanism behind the improvement in the H 2 S gas-sensing performance of carbon-modified WO 3 sensing materials.