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 .
Full text not available from this repository.Abstract
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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