Abstract
In the recent decade, elemental low-dimensional materials are focussed among researchers. In the current work, we used zigzag γ-arsenene nanoribbon (γ-AsNR) as a chemical sensor. Initially, γ-AsNR geometrical stability is established by formation energy. The band structure calculation reveals a bandgap of 1.127 eV. Besides, methylcyclohexane and methyl methacrylate are allowed to get adsorbed on γ-AsNR. The scope of adsorption energy (−0.019 eV to −0.738 eV) shows that methylcyclohexane and methyl methacrylate are physisorbed on γ-AsNR. Also, the changes in the electronic properties of γ-AsNR are observed by the results obtained based on electron density difference, charge transfer, band structure, and PDOS spectrum. Furthermore, the I-V characteristics show the disparity in the current owing to the adsorption of methylcyclohexane and methyl methacrylate. The findings support that γ-AsNR can be deployed for the detection of methylcyclohexane and methyl methacrylate emitted from the rubber footwear industries.
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