| 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.
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Source Publication | CARBON
(IF:7.466[JCR-2018],7.251[5-Year]) |
| 2017-08-01
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Volume | 119Pages:278-286 |
ISSN | 0008-6223
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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. |
Keyword | Carbon Honeycomb
Carbon Allotrope
Lightweight
Thermal Conductivity
Mechanical Strength
Ductility
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DOI | 10.1016/j.carbon.2017.04.054
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Indexed By | SCI
; EI
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Language | 英语
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WOS ID | WOS:000402713300033
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WOS Keyword | GRAPHENE NANORIBBONS
; STRENGTH
; LATTICE
; TRANSPORT
; STABILITY
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WOS Research Area | Chemistry
; Materials Science
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WOS Subject | Chemistry, Physical
; Materials Science, Multidisciplinary
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Funding Organization | National Science Foundation(1512776
; Teets Family Endowed Doctoral Fellowship from CU Engineering
; National Natural Science Foundation of China (NSFC)(11425211)
; Supercomputing Center of CAS
; 0821794)
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Department | LNM微结构计算力学
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Classification | 一类
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Ranking | 1
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Citation statistics |
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Document Type | 期刊论文
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Identifier | http://dspace.imech.ac.cn/handle/311007/60516
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Collection | 非线性力学国家重点实验室
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Corresponding Author | Wei, 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.
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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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