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On the influence of junction structures on the mechanical and thermal properties of carbon honeycombs
Gu XK; Pang ZQ; Wei YJ(魏宇杰); Yang RG; Wei, YJ (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China.
Source PublicationCARBON
2017-08-01
Volume119Pages:278-286
ISSN0008-6223
Abstract

Carbon honeycomb is a 3-dimensional carbon allotrope experimentally discovered recently but its lattice structure has not been well identified. In this paper we perform density-functional theory (DFT) calculations to examine the stability of carbon honeycombs with different configurations (chirality and sidewall width). We find that graphene nanoribbons with both zigzag edges and armchair edges can form stable carbon honeycombs if sp(3) carbon-carbon bonding is formed in the junction. We further study the mechanical properties and the thermal conductivity of carbon honeycombs with different chirality and the sidewall widths using both DFT calculations and molecular dynamics simulations. All these stable carbon honeycombs exhibit superior mechanical properties (large strength and ductility) and high thermal conductivity (larger than 100 W/m K) with a density as low as 0.5 g/cm(3). Light-weight carbon honeycombs could be promising functional materials for many engineering applications. (C) 2017 Elsevier Ltd. All rights reserved.

KeywordCarbon Honeycomb Carbon Allotrope Lightweight Thermal Conductivity Mechanical Strength Ductility
DOI10.1016/j.carbon.2017.04.054
Indexed BySCI ; EI
Language英语
WOS IDWOS:000402713300033
WOS KeywordGRAPHENE NANORIBBONS ; STRENGTH ; LATTICE ; TRANSPORT ; STABILITY
WOS Research AreaChemistry ; Materials Science
WOS SubjectChemistry, Physical ; Materials Science, Multidisciplinary
Funding OrganizationNational Science Foundation(1512776 ; Teets Family Endowed Doctoral Fellowship from CU Engineering ; National Natural Science Foundation of China (NSFC)(11425211) ; Supercomputing Center of CAS ; 0821794)
DepartmentLNM微结构计算力学
Classification一类
Ranking1
Citation statistics
Cited Times:21[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/60516
Collection非线性力学国家重点实验室
Corresponding AuthorWei, YJ (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China.
Recommended Citation
GB/T 7714
Gu XK,Pang ZQ,Wei YJ,et al. On the influence of junction structures on the mechanical and thermal properties of carbon honeycombs[J]. CARBON,2017,119:278-286.
APA Gu XK,Pang ZQ,Wei YJ,Yang RG,&Wei, YJ .(2017).On the influence of junction structures on the mechanical and thermal properties of carbon honeycombs.CARBON,119,278-286.
MLA Gu XK,et al."On the influence of junction structures on the mechanical and thermal properties of carbon honeycombs".CARBON 119(2017):278-286.
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