Stability and Energy Gaps of Graphene Clusters
Isolating a single sheet of graphene had been widely believed impossible before Novoselov et al. 1 successfully isolated graphene sheets by using the micromechanical cleavage method in 2004. Graphene has unique electronic transport properties and can be easily processed into devices and integrated circuits (ICs) using the existing technologies such as electron- or ion-beam lithography and writing, providing new possibilities for carbon-based nanoelectronics. The study of two-dimensional graphene sheets has become a research focus in recent years in the nanoscience and nanotechnology research community. Recently, zero-dimensional (0D) grapnene clusters 2,3 with rectangular, hexagonal or triangular shapes were also studied due to their promising applications as building elements for nanoelectronics. However, the stability of the 0D grapnene clusters has not been reported. We systematically studied graphene clusters with rectangular, hexagonal, and triangular shapes by using first-principle methods as well as by analyzing the binding energy and the heat of formation of their corresponding hydrogenate structures. According to our studies, both hexagonal and triangular graphene clusters with armchair sides show relatively large energy gaps. We also found that there exists a unique relationship between the energy gap and the size of a graphene cluster.
Lizhong Sun Huaping Xiao Kaiwang Zhang Jianxin Zhong
Department of Physics,Xiangtan University,Hunan 411105,China
国际会议
成都
英文
2007-11-19（万方平台首次上网日期，不代表论文的发表时间）