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Synthesis of Graphene Nanofluids with Controllable Flake Size Distributions

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Published on: July 17, 2019

Diffusion and drift of graphene flake on graphite surface.

Irina V Lebedeva¹, Andrey A Knizhnik, Andrey M Popov

¹Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region, Russia. lebedeva@kintechlab.com

The Journal of Chemical Physics

|March 17, 2011

Summary

A new diffusion mechanism for graphene flakes on graphite involves rotation between ordered and disordered states. This finding aids in controlling graphene movement in nanoelectromechanical systems.

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Area of Science:

Materials Science
Condensed Matter Physics
Surface Science

Background:

Graphene's unique properties make it ideal for nanoelectromechanical systems (NEMS).
Understanding graphene flake diffusion on graphite is crucial for NEMS applications.
Existing models do not fully capture the complex diffusion dynamics.

Purpose of the Study:

To analyze the diffusion and drift mechanisms of graphene flakes on graphite.
To propose and validate a novel diffusion mechanism.
To investigate the impact of structural defects and temperature on diffusion.

Main Methods:

Ab initio and empirical calculations to determine potential energy relief.
Derivation of analytic expressions for diffusion coefficient and mobility.
Molecular dynamics simulations to validate proposed mechanisms and assess defect influence.

Main Results:

A new diffusion mechanism involving rotational transitions between commensurate and incommensurate states is proposed.
Analytic expressions for diffusion and mobility are derived for various conditions.
Molecular dynamics simulations confirm the proposed mechanism's dominance under specific circumstances.
The influence of structural defects on graphene flake diffusion is quantified.

Conclusions:

The proposed rotational diffusion mechanism offers new insights into graphene flake dynamics.
This research provides a foundation for controlling graphene component movement in NEMS.
The findings can guide experimental determination of interlayer motion barriers and apply to other adsorbate-adsorbent systems.