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Title:
On the influence of junction structures on the mechanical and thermal properties of carbon honeycombs
Author: Gu XK; Pang ZQ; Wei YJ(魏宇杰); Yang RG
Source: CARBON
Issued Date: 2017-08-01
Volume: 119, Pages:278-286
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
Language: 英语
Indexed Type: SCI ; EI
DOI: 10.1016/j.carbon.2017.04.054
DOC Type: Article
WOS Subject: Chemistry, Physical ; Materials Science, Multidisciplinary
WOS Subject Extended: Chemistry ; Materials Science
WOS Keyword Plus: GRAPHENE NANORIBBONS ; STRENGTH ; LATTICE ; TRANSPORT ; STABILITY
WOS ID: WOS:000402713300033
ISSN: 0008-6223
Funder: 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)
Department: LNM微结构计算力学(筹)
First Institution (Yes or Not): false
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Content Type: 期刊论文
URI: http://dspace.imech.ac.cn/handle/311007/60516
Appears in Collections:非线性力学国家重点实验室_期刊论文

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Recommended Citation:
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,2017-08-01,119:278-286.
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