氧化锯齿边缘吸附极性分子掺杂石墨烯
Doping graphene by adsorption of polar molecules at the oxidized zigzag edges
摘要：
我们从理论上研究了锯齿形边缘被氧化的石墨烯的电子和磁性。这些属性的改变，吸附的$\mathrm{H_{2}O}$和$\mathrm{NH_3}$分子已被认为是。研究发现，吸附的分子由于与负电性氧的相互作用而沿着石墨烯氧化的锯齿形边缘形成团簇。石墨烯倾向于通过氧原子向吸附物提供电荷，并且提供的效率取决于分子间距离和吸附分子相对于石墨烯平面的位置。发现通过适当选择吸附物，可以实现在具有各种吸附分子的石墨烯中掺杂$p$的可控和逐渐生长。
英文摘要：
We have theoretically investigated the electronic and magnetic properties of graphene whose zigzag edges are oxidized. The alteration of these properties by adsorption of $\mathrm{H_{2}O}$ and $\mathrm{NH_3}$ molecules have been considered. It was found that the adsorbed molecules form a cluster along the oxidized zigzag edges of graphene due to interaction with the electro-negative 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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