Structure dependent elastic properties of supergraphene

• Published in: Acta mechanica Sinica 2016-08, Vol.32 (4), p.684-689
• Main Authors: Hou, Juan, Yin, Zhengnan, Zhang, Yingyan, Chang, Tien-Chong
• Format: Article
• Language: English
• Subjects: Bonding; Carbon; Carbyne; Chemical bonds; Classical and Continuum Physics; Computational Intelligence; Density; Engineering; Engineering Fluid Dynamics; Graphene; Poissons ratio; Research Paper; Stiffness; Theoretical and Applied Mechanics; 力学性能; 力学模型; 力学系统; 弹性性能; 泊松比; 碳链长度; 结构相关; 面内刚度
• ISSN: 0567-7718; 1614-3116
• DOI: 10.1007/s10409-016-0560-8

Complete replacement of aromatic carbon bonds in graphene by carbyne chains gives rise to supergraphene whose mechanical properties are expected to depend on its structure. However, this dependence is to date unclear. In this paper, explicit expressions for the in-plane stiffness and Poisson＇s ratio of supergraphene are obtained using a molecular mechanics model. The theoretical results show that the in-plane stiffness of supergraphene is drastically（at least one order） smaller than that of graphene, whereas its Poisson＇s ratio is higher than 0.5. As the index number increases（i.e., the length of carbyne chains increases and the bond density decreases）, the in-plane stiffness of supergraphene decreases while the Poisson＇s ratio increases. By analyzing the relation among the layer modulus, in-plane stiffness and Poisson＇s ratio, it is revealed that the mechanism of the faster decrease in the in-plane stiffness than the bond density is due to the increase of Poisson＇s ratio. These findings are useful for future applications of supergraphene in nanomechanical systems.