最近的实验显示金属置闰是一个很有效的方法在 graphene 上操作 graphene-adatom 相互作用和控制金属 nanostructure 形成。一个关键问题是集体运输,即,在 graphene 上一致地扔的原子怎么占据取决于本地置闰的不同区域。用第一原则的计算,我们显示出那部分设置的 graphene,与混合物设置并且太古的区域,因为空间变化,能在电子做导致一个轮流出现的电场,并且这样,一个摆动的静电的潜力。这块轮流出现的地能把正常随机的 adatom 散开改变到偏导的散开,导致选择集体运输和作为结果的成核,在也上设置或太古的区域,取决于 adatoms 的费用状态。
Recent experiments indicate that metal intercalation is a very effective method to manipulate the graphene-adatom interaction and control metal nanostructure formation on graphene. A key question is mass transport, i.e., how atoms deposited uniformly on graphene populate different areas depending on the local intercalation. Using first-principles calculations, we show that partially intercalated graphene, with a mixture of intercalated and pristine areas, can induce an alternating electric field because of the spatial variations in electron doping, and thus, an oscillatory electrostatic potential. This alternating field can change normal stochastic adatom diffusion to biased diffusion, leading to selective mass transport and consequent nucleation, on either the intercalated or pristine areas, depending on the charge state of the adatoms.