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Motivated by the recent realization of two-dimensional nanomaterials as gas sensors, we have investigated the adsorption of gas molecules (SO 2 , NO 2 , HCN, NH 3 , H 2 S, CO, NO, O 2 , H 2 , CO 2 , and H 2 O) on the graphitic GaN sheet (PL-GaN) using density functional theory calculations.

Adsorption of gas molecules on a graphitic GaN sheet and its implications for molecule sensors