摘要
Using ab initio methods we have investigated the fluorination of graphene and find that different stoichiometric phases can be formed without a nucleation barrier, with the complete ＂2D-Teflon＂ CF phase being thermody- namically most stable. The fluorinated graphene is an insulator and turns out to be a perfect matrix-host for patterning nanoroads and quantum dots of pristine graphene. The electronic and magnetic properties of the nanoroads can be tuned by varying the edge orientation and width. The energy gaps between the highest occupied and lowest unoccupied molecular orbitals （HOMO-LUMO） of quantum dots are size-dependent and show a confinement typical of Dirac fermions. Furthermore, we study the effect of different basic coverage of F on graphene （with stoichiometries CF and C4F） on the band gaps, and show the suitability of these materials to host quantum dots of graphene with unique electronic properties.
用 ab initio 方法，我们调查了 graphene 的氟化作用并且发现没有一个成核障碍，不同 stoichiometric 阶段能被形成，与是的完全的 2D 特氟隆重 CF 阶段热力学地很稳定。氟化的 graphene 是绝缘体并且结果是为 patterning nanoroads 和太古的 graphene 的量点的一位完美的矩阵主人。电子并且 nanoroads 的磁性能被改变边取向和宽度调节。在之间的精力差距最高占据了并且量点的最低没有住的分子的 orbitals (HOMO-LUMO ) 是尺寸依赖者并且显示出典型地代表迪拉克费米子的监禁。而且，我们在 graphene 上学习 F 的不同基本范围的效果(与 stoichiometries CF 和 C4F ) 在乐队差距，和表演上，到主人量的这些材料的适用性与唯一的电子性质 graphene 点。
