Atomic roughness enhanced friction on hydrogenated graphene

Atomic friction on hydrogenated graphene is investigated using molecular dynamics simulations. Hydrogenation is found to increase friction significantly, and the atomic-level information provided by the simulations reveals that atomic roughness induced by hydrogenation is the primary cause of the fr...

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Bibliographic Details
Published inNanotechnology Vol. 24; no. 37; p. 375701
Main Authors Dong, Yalin, Wu, Xiawa, Martini, Ashlie
Format Journal Article
LanguageEnglish
Published Bristol IOP Publishing 20.09.2013
Institute of Physics
Subjects
Adhesion
Computer simulation
Condensed matter: structure, mechanical and thermal properties
Exact sciences and technology
Friction
Graphene
Hydrogen storage
Hydrogenation
Mechanical and acoustical properties of condensed matter
Mechanical properties of nanoscale materials
Physics
Roughness
Simulation
Friction
Experimental design
Digital simulation
Molecular dynamics method
Roughness
Theoretical study
Mechanical properties
Adhesion
Hydrogenation
Tribology
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Summary:Atomic friction on hydrogenated graphene is investigated using molecular dynamics simulations. Hydrogenation is found to increase friction significantly, and the atomic-level information provided by the simulations reveals that atomic roughness induced by hydrogenation is the primary cause of the friction enhancement. Other proposed mechanisms, specifically adhesion and rigidity, are excluded based on the simulation results and analyses performed using the Prandtl-Tomlinson model. In addition, it is found that friction does not monotonically increase with hydrogen coverage on the graphene surface; instead, a maximum friction is observed at a hydrogen coverage between 5 and 10%.
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ISSN:0957-4484
1361-6528
DOI:10.1088/0957-4484/24/37/375701