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Electronic band structure of carbon honeycombs

文献类型：期刊论文

作者Pang ZQ(庞振乾); Gu, Xiaokun4; Wei YJ(魏宇杰); Yang, Ronggui2,3
刊名MATERIALS TODAY PHYSICS
出版日期2018-07
卷号5页码:72-77
关键词Ultralight weight sp(3) hybridization Semiconductor Band gap Boron-honeycomb Phonon dispersion
ISSN号2542-5293
DOI10.1016/j.mtphys.2018.06.003
英文摘要In this article, we present the electronic properties of various carbon honeycombs (C-honeycombs) with different cell sizes and junction types based on ab initio calculations. Among the three typical C-honeycombs with junctions connected via the zigzag edge, the armchair edge, or the hybrid edges of graphene nanoribbons, it is found that the zigzag C-honeycombs and the hybrid ones exhibit metallic properties. However, the armchair C-honeycombs are metallic only if the number of atomic planes N of the graphene nanoribbon in the C-honeycomb sidewall follows N = 3p+1, with p as an integer and are semiconducting for other N. For those semiconducting ones, the bandgap of the C-honeycomb is about 1.19 eV with the narrowest sidewall (5.2 angstrom) and monotonically -12reases to about 0.15 eV when the width is increased to 34.8 angstrom. The semiconducting nature of such C-honeycombs with nanometer size pores may be used for lightweight semiconductor in electronic devices or supercapacitor energy storage. As a comparison, we show that all boron honeycombs are metallic, and their electronic properties are independent of sidewall widths. (C) 2018 Elsevier Ltd. All rights reserved.
学科主题Materials Science, Multidisciplinary ; Physics, Applied
分类号一类
语种英语
WOS记录号WOS:000440069100008
资助机构National Natural Science Foundation of China (NSFC) [11425211]
其他责任者Wei, YJ (corresponding author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China. ; Yang, RG (corresponding author), Univ Colorado, Mat Sci & Engn Program, Boulder, CO 80309 USA.
源URL[http://dspace.imech.ac.cn/handle/311007/90238]  
专题力学研究所_非线性力学国家重点实验室
作者单位1.Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA
2.Univ Colorado, Mat Sci & Engn Program, Boulder, CO 80309 USA
3.Shanghai Jiao Tong Univ, Inst Engn Thermophys, Shanghai, Peoples R China
4.Univ Chinese Acad Sci, Sch Engn Sci, Beijing, Peoples R China
5.Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China
推荐引用方式
GB/T 7714		 Pang ZQ,Gu, Xiaokun,Wei YJ,et al. Electronic band structure of carbon honeycombs[J]. MATERIALS TODAY PHYSICS,2018,5:72-77.
APA 庞振乾,Gu, Xiaokun,魏宇杰,&Yang, Ronggui.(2018).Electronic band structure of carbon honeycombs.MATERIALS TODAY PHYSICS,5,72-77.
MLA 庞振乾,et al."Electronic band structure of carbon honeycombs".MATERIALS TODAY PHYSICS 5(2018):72-77.

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来源：力学研究所

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