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Density functional theory calculations were carried out to study the adsorption and sensing properties of Fe-doped graphene nanosheets (FeG) toward nitrogen oxides (NO, NO2, and N2O). The results indicated the adsorption of nitrogen oxides is significantly increased onto FeG compared to pristine graphene, reaching adsorption energies of 1.1–2.2eV, even with a high stability at room temperature. As...
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