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Using density functional theory, we studied the adsorption of an N2O molecule onto pristine and Si-doped AlN nanotubes in terms of energetic, geometric, and electronic properties. The N2O is weakly adsorbed onto the pristine tube, releasing energies in the range of −1.1 to −5.7 kcal mol-1. The electronic properties of the pristine tube are not influenced by the adsorption process. The N2O molecule...
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