Extended interplanar linking in graphite formed from vacancy aggregates.
Extended interplanar linking in graphite formed from vacancy aggregates.
复制标题
DOI：
10.1103/physrevlett.111.095501
复制
发表时间：
2013-08
影响因子：
8.6
通讯作者：
T. Trevethan;P. Dyulgerova;C. D. Latham;M. Heggie;C. Seabourne;A. Scott;P. Briddon;M. Rayson
中科院分区：
文献类型：
--
作者：
T. Trevethan;P. Dyulgerova;C. D. Latham;M. Heggie;C. Seabourne;A. Scott;P. Briddon;M. Rayson
石墨和相关材料（例如多层石墨烯）的机械和电学性质强烈依赖于晶格结构中缺陷的存在，特别是在相邻平面之间产生连接的那些缺陷。我们目前的研究结果表明，在石墨或石墨烯结构中存在一种新型的缺陷，这种缺陷通过连续的六方sp2键连接相邻的平面，并且可以通过单个空位缺陷的聚集来形成。能量和动力学的形成这种类型的缺陷的原子密度泛函理论计算进行了研究。所得的结构，然后采用模拟高分辨率的透射电子显微镜图像，这是比较最近的实验图像的电子辐照损伤石墨。
The mechanical and electrical properties of graphite and related materials such as multilayer graphene depend strongly on the presence of defects in the lattice structure, particularly those which create links between adjacent planes. We present findings which suggest the existence of a new type of defect in the graphite or graphene structure which connects adjacent planes through continuous hexagonal sp2 bonding alone and can form through the aggregation of individual vacancy defects. The energetics and kinetics of the formation of this type of defect are investigated with atomistic density functional theory calculations. The resultant structures are then employed to simulate high resolution transmission electron microscopy images, which are compared to recent experimental images of electron irradiation damaged graphite.