Fig. 4 COHP analysis for pristine Kagome-PNT.
Now, the primary bio-molecules – amino acid (asparagine), VFA (lactate) and polyamine (putrescine) are admitted to interact with the fundamental component – Kagome-PNT at two distinct spots – hollow and triangle. This form of interaction is performed based on the work of Ralph H Scheicher [49, 50], where the spots with small binding energy is chosen as global minima spot. The interaction of asparagine, lactate and putrescine on Kagome-PNT are specified as Complex X, Y and Z (1-hollow; 2-triangle) to enable pleasant interpretation for the readers and are illustrated in Fig. 5 (a) – (c).
Fig. 5 (a) Adsorption of asparagine on hollow site (complex X1) and triangle site (complex X2) of Kagome-PNT.