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<p>Toxic insecticide vapours such as allethrin and permethrin pose significant threats to the environment. The current work brings us closer to insights on the detection of allethrin and permethrin using a new two-dimensional (2D) beta arsenic antimonene (β-AsSb) nanosheet as a vapour sensor. The structural stability of the buckled β-AsSb nanosheet is confirmed and exhibits an energy band gap of 2.304&#xa0;eV. We used a semiconductor β-AsSb nanosheet as a base material to adsorb allethrin and permethrin. The variations in the electronic properties of β-AsSb nanosheet are tracked based on the charge transfer, projected density of states spectrum, charge density difference and electron localisation function results. Moreover, both allethrin and permethrin are physically adsorbed on β-AsSb nanosheet, as observed from the adsorption energy results. The adsorption/desorption of allethrin and permethrin on β-AsSb nanosheet makes it a suitable sensing element for allethrin and permethrin molecules.</p>

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Sensing properties of novel β-arsenic antimonene nanosheets towards allethrin and permethrin vapours—a first-principles investigation

  • 期刊论文

  • 发表日期：

    2025年8月18日

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  • M. Vaishnavi,
  • V. Nagarajan,
  • R. Chandiramouli

摘要

Toxic insecticide vapours such as allethrin and permethrin pose significant threats to the environment. The current work brings us closer to insights on the detection of allethrin and permethrin using a new two-dimensional (2D) beta arsenic antimonene (β-AsSb) nanosheet as a vapour sensor. The structural stability of the buckled β-AsSb nanosheet is confirmed and exhibits an energy band gap of 2.304 eV. We used a semiconductor β-AsSb nanosheet as a base material to adsorb allethrin and permethrin. The variations in the electronic properties of β-AsSb nanosheet are tracked based on the charge transfer, projected density of states spectrum, charge density difference and electron localisation function results. Moreover, both allethrin and permethrin are physically adsorbed on β-AsSb nanosheet, as observed from the adsorption energy results. The adsorption/desorption of allethrin and permethrin on β-AsSb nanosheet makes it a suitable sensing element for allethrin and permethrin molecules.