首页|DFT study on the adsorption properties of aldrin and dieldrin molecules on blue phosphorene nanotubes
DFT study on the adsorption properties of aldrin and dieldrin molecules on blue phosphorene nanotubes
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NSTL
Elsevier
The potent removal of the chlorinated persistent organic pollutants (POPs) that are categorized as "Dirty Dozen" by the Stockholm Convention - Aldrin and Dieldrin, by (8,8) armchair blue-Phosphorene nanotube (blue-PNT) is explored in the study by utilising the density functional framework. Besides, the structural firmness of the chief component is affirmed from the negative magnitude of cohesive formation energy (-3.766 eV per atom). Further, the significant interaction features of the POPs interacted blue-PNT like the supreme adsorption energy, average band gap variation, and desirable Bader charge transfer proposes the utility of blue-PNT to remove the POPs - aldrin and dieldrin.
NSTL
Elsevier
