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February 21, 2026Physical Chemistry Chemical Physics0 citations

Enhancing AsH3 gas sensing properties via transition metal doping in divacancy graphene: a first-principles investigation

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XPXiangze PengYYYongsheng YaoWDWeidong Dai

Key Points

  • This research aims to enhance the gas sensing properties of graphene for detecting AsH3 through transition metal doping.
  • Utilized first-principles computational techniques to model graphene with divacancies.
  • Investigated the role of transition metal doping on the adsorption of AsH3.
  • Evaluated the sensitivity and effectiveness of doped graphene for gas detection.
  • Transition metal doping significantly improved the adsorption energy of AsH3 on graphene.
  • Doped graphene demonstrated increased sensitivity to AsH3 compared to undoped forms.
  • Findings suggest potential applications for industrial safety monitoring.

Abstract

Designing sensitive materials capable of efficiently adsorbing AsH3 is of great significance for industrial safety protection and toxic gas monitoring. In this work, we systematically investigate the adsorption behavior of...

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Cite This Study

Peng et al. (2026) studied this question.

synapsesocial.com/papers/69994cdf873532290d021cc0https://doi.org/10.1039/d5cp04515k
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