• 文献标题:   Atomistic simulations of the sliding friction of graphene flakes
  • 文献类型:   Article
  • 作  者:   BONELLI F, MANINI N, CADELANO E, COLOMBO L
  • 作者关键词:  
  • 出版物名称:   EUROPEAN PHYSICAL JOURNAL B
  • ISSN:   1434-6028
  • 通讯作者地址:   Univ Milan
  • 被引频次:   68
  • DOI:   10.1140/epjb/e2009-00239-7
  • 出版年:   2009

▎ 摘  要

Using a tight-binding atomistic simulation, we simulate the recent atomic-force microscopy experiments probing the slipperiness of graphene flakes made slide against a graphite surface. Compared to previous theoretical models, where the flake was assumed to be geometrically perfect and rigid, while the substrate is represented by a static periodic potential, our fully-atomistic model includes quantum mechanics with the chemistry of bond breaking and bond formation, and the flexibility of the flake. These realistic features, include in particular the crucial role of the flake rotation in determining the static friction, in qualitative agreement with experimental observations.