Two-dimensional graphene heterojunctions: The tunable mechanical properties

Xia, Kang, Zhan, Haifei, & Gu, Yuantong (2015) Two-dimensional graphene heterojunctions: The tunable mechanical properties. Carbon, 95, pp. 1061-1068.

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We report the mechanical properties of different two-dimensional carbon heterojunctions (HJs) made from graphene and various stable graphene allotropes, including α-, β-, γ- and 6612-graphyne (GY), and graphdiyne (GDY). It is found that all HJs exhibit a brittle behaviour except the one with α-GY, which however shows a hardening process due to the formation of triple carbon rings. Such hardening process has greatly deferred the failure of the structure. The yielding of the HJs is usually initiated at the interface between graphene and graphene allotropes, and monoatomic carbon rings are normally formed after yielding. By varying the locations of graphene (either in the middle or at the two ends of the HJs), similar mechanical properties have been obtained, suggesting insignificant impacts from location of graphene allotropes. Whereas, changing the types and percentages of the graphene allotropes, the HJs exhibit vastly different mechanical properties. In general, with the increasing graphene percentage, the yield strain decreases and the effective Young’s modulus increases. Meanwhile, the yield stress appears irrelevant with the graphene percentage. This study provides a fundamental understanding of the tensile properties of the heterojunctions that are crucial for the design and engineering of their mechanical properties, in order to facilitate their emerging future applications in nanoscale devices, such as flexible/stretchable electronics.

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ID Code: 64095
Item Type: Journal Article
Refereed: Yes
Keywords: graphene, heterojunctions, graphyne, mechanical property, molecular dynamics simulation
DOI: 10.1016/j.carbon.2015.09.022
ISSN: 0008-6223
Subjects: Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > MATERIALS ENGINEERING (091200)
Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > MECHANICAL ENGINEERING (091300) > Numerical Modelling and Mechanical Characterisation (091307)
Australian and New Zealand Standard Research Classification > TECHNOLOGY (100000) > NANOTECHNOLOGY (100700) > Nanomaterials (100708)
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Past > QUT Faculties & Divisions > Faculty of Science and Technology
Copyright Owner: Copyright 2015 Elsevier Ltd.
Copyright Statement: This manuscript version is made available under the CC-BY-NC-ND 4.0 license
Deposited On: 12 Nov 2015 01:49
Last Modified: 15 Nov 2015 07:31

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