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<p>Conventional H<sub>2</sub>S sensors operating in high-temperature environments have disadvantages such as high-power consumption and inability to be used in flammable and explosive environments. To address these challenges, a novel room-temperature hydrogen sulfide sensor based on a graphene (G) /molybdenum disulfide (MoS<sub>2</sub>) heterojunction is proposed for the first time. Using density functional theory (DFT) first-principles calculations, this study systematically compared the adsorption behavior of H<sub>2</sub>S on the heterojunction and on monolayer MoS<sub>2</sub>, analyzing adsorption energy, density of states, and charge transfer. The sensor was fabricated using a low-cost, simple, and controllable mechanical exfoliation method. This technique shows strong potential for compatibility with standard microelectronic processes, making it suitable for future large-scale production and industrial use. The sensor exhibits a 20% response at 1&#xa0;ppm H<sub>2</sub>S, with excellent linearity (<i>R</i><sup>2</sup> = 0.9887) across the 1–15&#xa0;ppm range. Under 10&#xa0;ppm H<sub>2</sub>S exposure, response/recovery times are 219&#xa0;s/247&#xa0;s. The proposed G/MoS<sub>2</sub> heterojunction gas sensor effectively addresses the challenge of detecting H<sub>2</sub>S at ambient temperature, offering a practical and energy-efficient solution for real-world applications.</p>

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Room-temperature H2S gas sensor based on graphene/MoS2 heterojunction: experimental and theoretical insights

  • 期刊论文

  • 发表日期：

    2026年2月9日

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  • Yingyu Jin,
  • Zhiyu Yu,
  • Pinghua Li,
  • Mathankumar Manoharan,
  • Xuye Zhuang

摘要

Conventional H2S sensors operating in high-temperature environments have disadvantages such as high-power consumption and inability to be used in flammable and explosive environments. To address these challenges, a novel room-temperature hydrogen sulfide sensor based on a graphene (G) /molybdenum disulfide (MoS2) heterojunction is proposed for the first time. Using density functional theory (DFT) first-principles calculations, this study systematically compared the adsorption behavior of H2S on the heterojunction and on monolayer MoS2, analyzing adsorption energy, density of states, and charge transfer. The sensor was fabricated using a low-cost, simple, and controllable mechanical exfoliation method. This technique shows strong potential for compatibility with standard microelectronic processes, making it suitable for future large-scale production and industrial use. The sensor exhibits a 20% response at 1 ppm H2S, with excellent linearity (R2 = 0.9887) across the 1–15 ppm range. Under 10 ppm H2S exposure, response/recovery times are 219 s/247 s. The proposed G/MoS2 heterojunction gas sensor effectively addresses the challenge of detecting H2S at ambient temperature, offering a practical and energy-efficient solution for real-world applications.