Journal Article

FZJ-2015-03795

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Atomistic modelling of friction of Cu and Au nanoparticles adsorbed on graphene

Khomenko, A. V. (Corresponding Author) ; Prodanov, N. V. ; Persson, B.FZJ*

2013
Inst. Lviv

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Please use a persistent id in citations: http://hdl.handle.net/2128/11494  doi:10.5488/CMP.16.33401

Abstract: We present classical molecular dynamics calculations of the behavior of copper and gold nanoparticles on a graphene sheet, sheared with a constant applied force Fa. The force Fs acting on the particle from the substrate depends on the material of the nanoparticles (Au or Cu), and exhibits a sawtooth dependency on time, which we attribute to local commensurability between the metal nanoparticle surface atomic positions with the graphene lattice. The time-averaged value of Fs (the friction force) acting on Au nanoparticles increases linearly with the contact area, having slopes close to the experimentally observable ones. A qualitative model is proposed to explain the observed results.

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (IAS-1)
2. Quanten-Theorie der Materialien (PGI-1)

Research Program(s):

1. 424 - Exploratory materials and phenomena (POF2-424) (POF2-424)

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Database coverage:
; ; ; Current Contents - Physical, Chemical and Earth Sciences ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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