Selective breath biomarker sensing of trimethylamine using Cu-doped Janus Al<sub>2</sub>SeTe monolayers: a DFT investigation.

For NO, the bandgap changed by an almost insignificant 0.05 eV, with a charge transfer of 0.1| e |, and the adsorption energy was −0.214 eV, adsorbed 2.787 Å above the surface, indicating weak physisorption for both NO 2 and NO.

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