Abstract
Abstract We performed first-principles density functional theory calculation to investigate the electronic structures and magnetic properties of Fe/NO 2 co-doped graphene. First, our study shows that the Fe/NO 2 co-doped graphene preserves the unique linear dispersion of the charge carriers. More importantly, NO 2 co-doping is a much effective way to compensate the shifting of E F , which can facilitate the Fe adsorbed graphene systems to retain the unique properties of graphene. Second, magnetic exchange energy calculation finds that long-range ferromagnetic coupling exists between two n-p pairs and the coupling strength can be obviously improved after NO 2 co-doping.
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