A DFT Study on Adsorption Behavior of CO onPristine and Doped B 12 P 12 Nanocage

A DFT Study on Adsorption Behavior of CO on
Pristine and Doped B 12 P 12 Nanocage

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#HOMO_and_LUMO_energy_levels #binding_energy #energy_bond_gap #pristine_B12P12 #B3LYP_and_M062X