4.6 Article

Doping graphene by adsorption of polar molecules at the oxidized zigzag edges

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PHYSICAL REVIEW B
卷 81, 期 20, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.81.205431

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  1. Canada Research Chairs Program
  2. NSERC

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We have theoretically investigated the electronic and magnetic properties of graphene whose zigzag edges are oxidized. The alteration of these properties by adsorption of H2O and NH3 molecules has been considered. It was found that the adsorbed molecules form a cluster along the oxidized zigzag edges of graphene due to interaction with the electronegative oxygen. Graphene tends to donate a charge to the adsorbates through the oxygen atoms and the efficiency of donation depends on the intermolecular distance and on the location of the adsorbed molecules relative to the plane of graphene. It was found that by appropriate selection of the adsorbates, a controllable and gradual growth of p doping in graphene with a variety of adsorbed molecules can be achieved.

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