Tunable band structures of polycrystalline graphene by external and mismatch strains

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	Tunable band structures of polycrystalline graphene by external and mismatch strains
	Wu JT(吴江涛); Shi XH(施兴华); Wei YJ(魏宇杰); Wei YJ(魏宇杰)
发表期刊	Acta Mechanica Sinica
	2012-12-25
卷号	28 期号:6 页码:1539-1544
ISSN	0567-7718
摘要	Lacking a band gap largely limits the application of graphene in electronic devices. Previous study shows that grain boundaries (GBs) in polycrystalline graphene can dramatically alter the electrical properties of graphene. Here, we investigate the band structure of polycrystalline graphene tuned by externally imposed strains and intrinsic mismatch strains at the GB by density functional theory (DFT) calculations. We found that graphene with symmetrical GBs typically has zero band gap even with large uniaxial and biaxial strain. However, some particular asymmetrical GBs can open a band gap in graphene and their band structures can be substantially tuned by external strains. A maximum band gap about 0.19 eV was observed in matched-armchair GB (5, 5) \| (3, 7) with a misorientation of θ=13 when the applied uniaxial strain increases to 9%. Although mismatch strain is inevitable in asymmetrical GBs, it has a small influence on the band gap of polycrystalline graphene.
关键词	Graphene Grain Boundary Defects Strain Band Gap
学科领域	损伤、破坏机理和微结构演化
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收录类别	SCI ; EI ; CSCD
语种	英语
WOS记录号	WOS:000313061200005
项目资助者	The project was supported by the National Natural Science Foundation of China (11021262 and 11023001) and MOST 973 of China (2012CB937500).
课题组名称	LNM微结构计算力学（筹）
论文分区	二类
引用统计	被引频次：9[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/311007/46788
专题	非线性力学国家重点实验室
通讯作者	Wei YJ(魏宇杰)
推荐引用方式 GB/T 7714	Wu JT,Shi XH,Wei YJ,et al. Tunable band structures of polycrystalline graphene by external and mismatch strains[J]. Acta Mechanica Sinica,2012,28,6,:1539-1544.
APA	Wu JT,Shi XH,Wei YJ,&魏宇杰.(2012).Tunable band structures of polycrystalline graphene by external and mismatch strains.Acta Mechanica Sinica,28(6),1539-1544.
MLA	Wu JT,et al."Tunable band structures of polycrystalline graphene by external and mismatch strains".Acta Mechanica Sinica 28.6(2012):1539-1544.

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