Electronic band structure of carbon honeycombs

doi:10.1016/j.mtphys.2018.06.003

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	Electronic band structure of carbon honeycombs
	Pang ZQ(庞振乾); Gu, Xiaokun 2; Wei YJ(魏宇杰); Yang, Ronggui 3,4
发表期刊	MATERIALS TODAY PHYSICS
	2018-07
卷号	5 页码:72-77
ISSN	2542-5293
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.
关键词	Ultralight weight sp(3) hybridization Semiconductor Band gap Boron-honeycomb Phonon dispersion
学科领域	Materials Science, Multidisciplinary ; Physics, Applied
DOI	10.1016/j.mtphys.2018.06.003
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:000440069100008
项目资助者	National Natural Science Foundation of China (NSFC) [11425211]
论文分区	一类
力学所作者排名	1
RpAuthor	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.
引用统计	被引频次：5[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/90238
专题	非线性力学国家重点实验室
作者单位	1.Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Sch Engn Sci, Beijing, Peoples R China 3.Shanghai Jiao Tong Univ, Inst Engn Thermophys, Shanghai, Peoples R China 4.Univ Colorado, Mat Sci & Engn Program, Boulder, CO 80309 USA 5.Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA
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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