Interaction of volatile organic compounds (VOCs) emitted from banana on stanene nanosheet—a first-principles studies

Abstract

Using ab initio calculation, structural stability, including electronic properties of bare/hydrogenated stanene (BSn/HSn) nanosheet, was explored. The geometrical stability of HSn material is verified with the influence of phonon band structure and formation energy. The concentration of the present work is to check the quality of Musa acuminata (banana) fruits when it is in ripe and overripe stage using HSn nanosheet material. Further, the interaction of different volatile organic compounds, namely, isoamyl acetate, isobutyl acetate, acetoin, and 2,3-butanediol aromas on HSn base material is studied with the significant parameter such as Bader charge transfer, band gap, adsorption energy, and average energy band gap changes. The sensitivity of the aromas emitting from ripe and overripe stages of banana on HSn nanosheet was studied using density of states spectrum. The adsorption energy of HSn nanosheet is found in the range of − 0.055 to − 0.989 eV upon the interaction VOCs of Musa acuminata. The novel aspect of the present work is to check the quality of Musa acuminata with the influence of HSn nanosheet using density functional theory.