Atomic-scale friction in graphene oxide: An interfacial interaction perspective from first-principles calculations

  title={Atomic-scale friction in graphene oxide: An interfacial interaction perspective from first-principles calculations},
  author={Lin-feng Wang and Tianbao Ma and Yuan-zhong Hu and Hui Wang},
  journal={Physical Review B},
Atomic-scale friction in graphene oxide is investigated using density functional theory calculation including a long-range dispersion correction (DFT-D). The sliding behaviors between two graphene oxide layers with different functional groups or oxidation levels are quantitatively studied based on the constructed potential energy surfaces. Sliding paths with minimum energy corrugations and the corresponding static lateral forces and shear strengths for different systems are derived, suggesting… Expand
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