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The adsorption of NO 2 molecules on (8,0) zigzag single-walled boron nitride nanotube surface is investigated using density functional theory calculations. Two interaction modes, nitro (interacting atom is N) and nitrite (O interacts with BNNT) have been studied with increase in number of NO 2 molecules. The adsorption of single NO 2 molecule in both configurations is observed...
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