4. Inference
To sum up, it is evident that the unpleasant odor released into the outer atmosphere is due to the microbial deamination and decarboxylation of amino acid, asparagine into VFA – lactate and polyamine – putrescine, respectively. We utilized Kagome form of Phosphorene nanotube (Kagome-PNT) for sensing the presence of amino acid and its products. Density functional theory mode is adopted in the present investigation and the conformational stability of Kagome-PNT is affirmed with the help of formation energy. Besides, the factors Density of states (DOS) spectrum and Band Structure under electronic features are evaluated for the pure Kagome-PNT and the bio-molecules (asparagine, lactate and putrescine) interacted Kagome-PNT. In addition, COHP analysis is carried out for the bio-molecules interacted complexes at the spot of interaction (between the Phosphorus atom and the interacting atom of the molecule). Moreover, the interaction features namely, the Binding energy, average energy gap alteration and Bader charge transfer are gauged for the bio-molecules interacted Kagome-PNT (both hollow and triangle-spot interaction). The deduction made from the current scrutinization is that the Kagome-form of phosphorene nanotube can be effortlessly employed as a fundamental component in chemi-resistive based sensor to detect the presence of the bio-molecules – asparagine, lactate and putrescine.