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<p>The factors that affect pristine and MnO<sub>2</sub>-doped MoO<sub>3</sub> sensor response to H<sub>2</sub>S gas include H<sub>2</sub>S properties (such as flash point and autoignition temperature), humidity, temperature, and the MnO<sub>2</sub>-doped MoO<sub>3</sub> detecting material properties. Transition state theory formalism is incorporated to account for detecting H<sub>2</sub>S gas using MnO<sub>2</sub>-doped MoO<sub>3</sub>. Thermodynamic quantities for detecting processes, such as the Gibbs energy of adsorption and transition, are evaluated. Logistic functions are used to describe the effect of the reaction of H<sub>2</sub>S with oxygen in air and determine the impact of humidity. Results include calculating response and response time as a function of temperature, H<sub>2</sub>S concentration, and humidity. Calculations showed that 0.17&#xa0;eV is needed to pull one oxygen atom from the MnO<sub>2</sub>-doped MoO<sub>3</sub> sensor compared to 3.324&#xa0;eV from pristine MoO<sub>3</sub>, which makes pristine MoO<sub>3</sub> inappropriate for detection. Results also showed that a wide temperature range from room temperature to more than 200 ̊C can be used to detect H<sub>2</sub>S. A good agreement is obtained between the present theory results and available experimental values. The present theory is the only theory that accounts for the variation of H<sub>2</sub>S gas response with temperature, humidity, and H<sub>2</sub>S concentration simultaneously.</p>

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H2S Properties, temperature, and humidity effects on MnO2 doped MoO3 gas sensor response: Transition state theory study

  • 期刊论文

  • 发表日期：

    2025年6月24日

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  • Mudar Ahmed Abdulsattar

摘要

The factors that affect pristine and MnO2-doped MoO3 sensor response to H2S gas include H2S properties (such as flash point and autoignition temperature), humidity, temperature, and the MnO2-doped MoO3 detecting material properties. Transition state theory formalism is incorporated to account for detecting H2S gas using MnO2-doped MoO3. Thermodynamic quantities for detecting processes, such as the Gibbs energy of adsorption and transition, are evaluated. Logistic functions are used to describe the effect of the reaction of H2S with oxygen in air and determine the impact of humidity. Results include calculating response and response time as a function of temperature, H2S concentration, and humidity. Calculations showed that 0.17 eV is needed to pull one oxygen atom from the MnO2-doped MoO3 sensor compared to 3.324 eV from pristine MoO3, which makes pristine MoO3 inappropriate for detection. Results also showed that a wide temperature range from room temperature to more than 200 ̊C can be used to detect H2S. A good agreement is obtained between the present theory results and available experimental values. The present theory is the only theory that accounts for the variation of H2S gas response with temperature, humidity, and H2S concentration simultaneously.