Interfacial adhesion properties of graphene sheet on nanoscale corrugated surface: a molecular dynamics simulation study. Issue 5 (23rd March 2016)

• Record Type: Journal Article
• Authors: Tang, Xianqiong; Zhang, Ke; Deng, Xuhui; Zhang, Ping; Pei, Yong
• Is Part Of: Molecular simulation. Volume 42:Issue 5(2016)
• Page Start: 405
• Page End: 412
• Publication Date: 2016-03-23
• Subjects: molecular dynamics -- graphene sheet -- adhesion -- corrugated substrate; Molecular dynamics -- Computer simulation -- Periodicals; Statistical mechanics -- Computer simulation -- Periodicals; 539.6
• DOI: 10.1080/08927022.2015.1059430
• Languages: English
• ISSNs: 0892-7022

Abstract

Abstract : Adhesive contacts between graphene sheet (GS) and corrugated substrates made of an ordered array of atomic pillars with variable geometries were investigated by molecular dynamics simulations. Depending on the height and interval distance of the pillars, GS can conformably coat the surface, partially adhere, or remain flat on top of the pillars. The relationship between the geometries of the pillar and the final adhesion configurations of GS was partially established. A critical adsorption energy was determined to achieve stable adsorption configuration of GS on corrugated substrates made of ordered pillar arrays. Besides the geometries of pillars, the effects of initial coating angle of GS were also considered as an important factor that affects the final adsorption configuration. We observed two interesting morphologies of GS, 'I shape' and 'L shape', which were determined by the initial coating angles.