Bilayered semiconductor graphene nanostructures with periodically arranged hexagonal holes  

作　　者：Dmitry G. Kvashnin Peter Vancso Liubov Yu. Antipina Geza I. Mark Laszlo P. Biro Pavel B. Sorokin Leonid A. Chernozatonskii 

机构地区：[1]Emanuel Institute of Biochemical Physics, 4 Kosigina Street, Moscow, 119334, Russia [2]Institute of Technical Physics and Materials Science, Research Centre for Natural Sciences, H- 1525 Budapest, P.O. Box 49, Hungary [3]Technological Institute of Superhard and Novel Carbon Materials, 7a Centralnaya Street, Troitsk, Moscow, 142190, Russia

出　　处：《Nano Research》2015年第4期1250-1258,共9页纳米研究（英文版）

摘　　要：We present a theoretical study of new nanostructures based on bilayered graphene with periodically arranged hexagonal holes （bilayered graphene antidots）. Our ab initio calculations show that fabrication of hexagonal holes in bigraphene leads to connection of the neighboring edges of the two graphene layers with formation of a hollow carbon nanostructure sheet which displays a wide range of electronic properties （from semiconductor to metallic）, depending on the size of the holes and the distance between them. The results were additionally supported by wave packet dynamical transport calculations based on the numerical solution of the time-dependent Schr/Sdinger equation.我们在场新 nanostructures 的理论研究基于有周期性地安排的六角形的洞 bilayered graphene antidots 的 bilayered graphene。我们的 ab initio 计算证明在 bigraphene 的六角形的洞的那制造与从半导体显示大量电子性质到的一张空碳 nanostructure 表的形成导致二 graphene 层的附近的边的连接金属性，取决于在他们之间的洞和距离的尺寸。结果被波浪包另外支持动态运输计算基于时间依赖者 Schr 的数字答案 ? dinger 方程。

关 键 词：gaphene ANTIDOTS electronic properties DFT 

分 类 号：O413.1[理学—理论物理] TB383[理学—物理]