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Nanotechnology. 2014 Sep 26;25(38):385701. doi: 10.1088/0957-4484/25/38/385701. Epub 2014 Sep 2.

Superlubricity of two-dimensional fluorographene/MoS2 heterostructure: a first-principles study.

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1
State Key Laboratory of Tribology, Tsinghua University, Beijing 100084, People's Republic of China. Institute of Bio-inspired Structure and Surface Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, People's Republic of China.

Abstract

The atomic-scale friction of the fluorographene (FG)/MoS2 heterostructure is investigated using first-principles calculations. Due to the intrinsic lattice mismatch and formation of periodic Moiré patterns, the potential energy surface of the FG/MoS2 heterostructure is ultrasmooth and the interlayer shear strength is reduced by nearly two orders of magnitude, compared with both FG/FG and MoS2/MoS2 bilayers, entering the superlubricity regime. The size dependency of superlubricity is revealed as being based on the relationship between the emergence of Moiré patterns and the lattice mismatch ratio for heterostructures.

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