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Laser-assisted graphene layer exfoliation from graphite slab

Javvaji, B and Vasireddi, R and Zhuang, X and Mahapatra, DR and Rabczuk, T (2021) Laser-assisted graphene layer exfoliation from graphite slab. In: Molecular Simulation .

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Official URL: https://doi.org/10.1080/08927022.2021.1991920


Synthesis of graphene with reduced use of chemical reagents is essential for manufacturing scale-up and to control its structure and properties. In this paper, we report the mechanism for exfoliating graphene from graphite slabs using laser impulse. We set up a molecular dynamics model that accounts for the charge-mediated inter-atomic potential along with the forces from electromagnetic fields of a laser pulse. The role of different laser fluences on the exfoliation process of graphene quantified in terms of the interlayer energy transition, inter-layer displacement jump, and thermal shock propagation in graphene-graphite system. The simulation results confirm the exfoliation of a single layer graphene sheet for the laser power ranging from (Formula presented.) to (Formula presented.) J/nm2. With an increase of laser fluence from (Formula presented.) to (Formula presented.) J/nm2, there is an increase in the graphene yield via the layer-after-layer exfoliation. The bridging bond dynamics between the successive graphene layers govern the exfoliation of the second layer. The results indicate promises for producing chemical-free graphene on a large scale for industrial applications. © 2021 Informa UK Limited, trading as Taylor & Francis Group.

Item Type: Journal Article
Publication: Molecular Simulation
Publisher: Taylor and Francis Ltd.
Additional Information: The copyright for this article belongs to Taylor and Francis Ltd.
Keywords: Electromagnetic fields; Exfoliation (materials science); Graphite; Molecular dynamics, Chemical reagents; Forcefields; Graphene layers; Graphite slabs; Laser exfoliation; Laser fluences; Laser impulse; Laser-assisted; Scale-up; Structures and properties, Graphene
Department/Centre: Division of Mechanical Sciences > Aerospace Engineering(Formerly Aeronautical Engineering)
Date Deposited: 28 Nov 2021 06:38
Last Modified: 28 Nov 2021 06:38
URI: http://eprints.iisc.ac.in/id/eprint/70438

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