Two-dimensional graphene superlattice made with partial hydrogenation
Two-dimensional graphene superlattice made with partial hydrogenation
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DOI：
10.1063/1.3425664
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发表时间：
2010-04
影响因子：
4
通讯作者：
Ming Yang;A. Nurbawono;Chun Zhang;Ariando;Y. Feng
中科院分区：
文献类型：
--
作者：
Ming Yang;A. Nurbawono;Chun Zhang;Ariando;Y. Feng
采用密度泛函紧束缚方法，将紧束缚方法与密度泛函理论相结合，对部分氢化法制备的二维石墨烯超晶格的电子性质进行了深入研究.氢原子在石墨烯表面的二维分布对石墨烯超晶格的电子结构有很大的影响。特别地，2D图案的边缘（扶手椅或锯齿形）对于能带隙开口是必不可少的，并且能带隙敏感地取决于图案的形状、尺寸和2D周期性。基于这些发现，我们建议二维石墨烯超晶格可以用于制造石墨烯量子点或异质结，而无需切割或蚀刻。
Electronic properties of two-dimensional 2D graphene superlattice made with partial hydrogenation were thoroughly studied via density functional tight binding approach which incorporates the tight-binding method into the density functional formalism. The 2D pattern of hydrogen atoms on graphene was found to have great effects on electronic structures of graphene superlattice. In particular, the edges of the 2D pattern, armchair or zigzag, are essential for the energy band gap opening, and the energy band gap sensitively depends on the shape, size, and the 2D periodicity of the pattern. Based on these findings, we suggested that the 2D graphene superlattice could be used in fabricating graphene quantum dots or heterojunctions without the need for cutting or etching.