  Using first-principles calculation, geometrical stability together with
electronic properties of graphdiyne nanosheet (Gdn-NS) is investigated. The
structural stability of Gdn-NS is established with the support of phonon band
structure and cohesive energy. The main objective of the present study is to
check the odor quality of Mangifera indica L. (mangoes) fruits during the
various ripening stage with the influence of Gdn-NS material. In addition, the
adsorption of various volatiles, namely ethyl butanoate, myrcene,
(E,Z,Z)-1,3,4,8-undecatetraene and $\gamma$-octalactone aromas on Gdn-NS is
explored with the significant parameters including Bader charge transfer,
energy gap, average energy gap changes and adsorption energy. The sensitivity
of volatiles emitting from various ripening stages of mango on Gdn-NS were
explored with the influence of density of states spectrum. The outcomes of the
proposed work help us to check the ripening stage and odor quality of Mangifera
indica L. by Gdn-NS material using density functional theory.

Materials Science;Mesoscale and Nanoscale Physics