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<p>This paper highlights the multifunctional potential of the Janus bimetallic compounds In<sub>2</sub>SSe and Al<sub>2</sub>SSe for gas sensing and their interactions with highly toxic gases (NH<sub>3</sub>, Cl<sub>2</sub>, HCN, and ClCN), based on fundamental physical principles. The properties of the monolayers were tuned using biaxial strain under both tensile and compressive strain. The results indicated the possibility of tuning the bond strength and electrical activity, with all gases exhibiting chemisorption energies and near-perfect sensing responses approaching about 100% at strain values ± 5%. The evidence in the scientific literature was found to be in good agreement with our theoretical results. This study provides theoretical guidance for the development of highly sensitive, fast-acting gas sensors in the future.</p>

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Strain-modulated theoretical study of Janus In2SSe and Al2SSe monolayers as potential gas sensors for highly toxic gases

  • 期刊论文

  • 发表日期：

    2026年7月21日

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  • Zinah H. Obaid,
  • Lafy F. Al-Badry

摘要

This paper highlights the multifunctional potential of the Janus bimetallic compounds In2SSe and Al2SSe for gas sensing and their interactions with highly toxic gases (NH3, Cl2, HCN, and ClCN), based on fundamental physical principles. The properties of the monolayers were tuned using biaxial strain under both tensile and compressive strain. The results indicated the possibility of tuning the bond strength and electrical activity, with all gases exhibiting chemisorption energies and near-perfect sensing responses approaching about 100% at strain values ± 5%. The evidence in the scientific literature was found to be in good agreement with our theoretical results. This study provides theoretical guidance for the development of highly sensitive, fast-acting gas sensors in the future.