Abstract
AbstractThe electronic and adsorption properties of methanol & ethanol on green phosphorene nanosheets (GP‐NS) are explored using first‐principles studies. We confirmed the stable structure of GP‐NS using formation energy, which is recorded as −3.72 eV/atom. We studied the adsorption energy of methanol and ethanol vapors on GP‐NS that are noted to be exothermic. Also, the charge transfer shows that charge transfer takes place between alcohol molecules and GP‐NS. The semiconducting nature of GP‐NS is noticed from our calculation. The change in the energy gap is observed owing to the adsorption of the ethanol & methanol vapors on GP‐NS. The results of this report reveal that GP‐NS is a capable base substrate for detecting alcohol vapors. The present report will lay new in‐roads for the usage of GP‐NS as chemical sensor.
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