Department of Physics and Astronomy, Vanderbilt University , Nashville, Tennessee 37235, United States.
Nano Lett. 2013 Jul 10;13(7):3262-8. doi: 10.1021/nl4013979. Epub 2013 Jun 18.
Boundaries, including phase boundaries, grain boundaries, and domain boundaries, are known to have an important influence on material properties. Here, dark-field (DF) transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM) imaging are combined to provide a full view of boundaries between AB and AC stacking domains in bilayer graphene across length scales from discrete atoms to the macroscopic continuum. Combining the images with results obtained by density functional theory (DFT) and classical molecular dynamics calculations, we demonstrate that the AB/AC stacking boundaries in bilayer graphene are nanometer-wide strained channels, mostly in the form of ripples, producing smooth low-energy transitions between the two different stackings. Our results provide a new understanding of the novel stacking boundaries in bilayer graphene, which may be applied to other layered two-dimensional materials as well.
边界,包括相界、晶界和畴界,已知对材料性能有重要影响。在这里,暗场(DF)透射电子显微镜(TEM)和扫描透射电子显微镜(STEM)成像相结合,提供了双层石墨烯中 AB 和 AC 堆叠畴之间边界的全视角,从离散原子到宏观连续体的长度尺度。将这些图像与密度泛函理论(DFT)和经典分子动力学计算的结果相结合,我们证明了双层石墨烯中的 AB/AC 堆叠边界是纳米宽的应变通道,主要以波纹的形式存在,在两种不同堆叠之间产生平滑的低能跃迁。我们的结果提供了对双层石墨烯中新型堆叠边界的新认识,这也可能适用于其他层状二维材料。