• 文献标题:   Structure, Energetic and Tribological Properties, and Possible Applications in Nanoelectromechanical Systems of Argon-Separated Double-Layer Graphene
  • 文献类型:   Article
  • 作  者:   POPOV AM, LEBEDEVA IV, KNIZHNIK AA, LOZOVIK YE, POTAPKIN BV
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY C
  • ISSN:   1932-7447 EI 1932-7455
  • 通讯作者地址:   Kintech Lab Ltd
  • 被引频次:   5
  • DOI:   10.1021/jp402765p
  • 出版年:   2013

▎ 摘  要

The possibility to control the commensurability and distance between graphene layers separated by a dielectric spacer is considered by the example of a heterostructure consisting of double-layer graphene separated by atomic layers of argon. Van der Waals-corrected density functional theory (DFT-D) is applied to study structural, energetic, and tribological characteristics of this heterostructure. It is found that, in the ground state, monolayer and bilayer argon spacers are incommensurate with the graphene layers, whereas sub-monolayer argon spacers which are commensurate with the graphene layers can exist only as metastable states. The calculations show that this incommensurability provides negligibly small static friction for relative motion of argon-separated graphene layers; therefore, such a heterostructure holds great promise for use in nanoelectromechanical systems. A scheme and operational principles of the nanorelay based on the revealed tribological properties of the heterostructure are proposed.