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.