Structural and electronic properties of an ordered grain boundary formed by separated (1,0) dislocations in graphene.
Structural and electronic properties of an ordered grain boundary formed by separated (1,0) dislocations in graphene.
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DOI：
10.1039/c4nr06789d
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发表时间：
2015-02
期刊：
影响因子：
6.7
通讯作者：
Chuanxu Ma;Haifeng Sun;Hongjian Du;Jufeng Wang;A. Zhao;Qunxiang Li;B. Wang;J. Hou
中科院分区：
文献类型：
--
作者：
Chuanxu Ma;Haifeng Sun;Hongjian Du;Jufeng Wang;A. Zhao;Qunxiang Li;B. Wang;J. Hou
我们提出了一个有序的晶界（GB）的结构和电子性质的调查，形成分离的五边形七边形对在单层石墨烯/SiO2使用扫描隧道显微镜/光谱（STM/STS），加上密度泛函理论（DFT）计算。据观察，五边形-七边形对，即，（1，0）位错形成周期性准一维链。（1，0）位错被8排横向碳环隔开，周期为1.2nm。STM图像中位错的突出特征反映了位错的面外屈曲结构，这一点得到了DFT模拟的支持。沿小角晶界沿着记录的STS谱显示出明显的微分电导峰，其位置与DFT计算的货车霍韦奇异性定性地雅阁。
We present an investigation of the structural and electronic properties of an ordered grain boundary (GB) formed by separated pentagon-heptagon pairs in single-layer graphene/SiO2 using scanning tunneling microscopy/spectroscopy (STM/STS), coupled with density functional theory (DFT) calculations. It is observed that the pentagon-heptagon pairs, i.e., (1,0) dislocations, form a periodic quasi-one-dimensional chain. The (1,0) dislocations are separated by 8 transverse rows of carbon rings, with a period of ∼2.1 nm. The protruded feature of each dislocation shown in the STM images reflects its out-of-plane buckling structure, which is supported by the DFT simulations. The STS spectra recorded along the small-angle GB show obvious differential-conductance peaks, the positions of which qualitatively accord with the van Hove singularities from the DFT calculations.