Laser-assisted graphene layer exfoliation from graphite slab

Research output: Contribution to journalArticleResearchpeer review

Authors

  • Brahmanandam Javvaji
  • Ramakrishna Vasireddi
  • Xiaoying Zhuang
  • Debiprosad Roy Mahapatra
  • Timon Rabczuk

Research Organisations

External Research Organisations

  • Indian Institute of Science Bangalore
  • Synchrotron SOLEIL
  • Bauhaus-Universität Weimar
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Details

Original languageEnglish
Pages (from-to)1540-1548
Number of pages9
JournalMolecular simulation
Volume47
Issue number18
Early online date21 Oct 2021
Publication statusPublished - 12 Dec 2021

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/nm 2. With an increase of laser fluence from (Formula presented.) to (Formula presented.) J/nm 2, 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.

Keywords

    force field, graphene, Laser exfoliation, molecular dynamics

ASJC Scopus subject areas

Sustainable Development Goals

Cite this

Laser-assisted graphene layer exfoliation from graphite slab. / Javvaji, Brahmanandam; Vasireddi, Ramakrishna; Zhuang, Xiaoying et al.
In: Molecular simulation, Vol. 47, No. 18, 12.12.2021, p. 1540-1548.

Research output: Contribution to journalArticleResearchpeer review

Javvaji B, Vasireddi R, Zhuang X, Mahapatra DR, Rabczuk T. Laser-assisted graphene layer exfoliation from graphite slab. Molecular simulation. 2021 Dec 12;47(18):1540-1548. Epub 2021 Oct 21. doi: 10.48550/arXiv.2011.13690, 10.1080/08927022.2021.1991920
Javvaji, Brahmanandam ; Vasireddi, Ramakrishna ; Zhuang, Xiaoying et al. / Laser-assisted graphene layer exfoliation from graphite slab. In: Molecular simulation. 2021 ; Vol. 47, No. 18. pp. 1540-1548.
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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/nm 2. With an increase of laser fluence from (Formula presented.) to (Formula presented.) J/nm 2, 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. ",
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N1 - Funding Information: This work was supported by International Research Staff Exchange Scheme (IRSES), FP7-PEOPLE-2010-IRSES, through the project ?MultiFrac?; Aeronautical Research and Development Board (ARDB) through project ACECOST Phase-III; Defence Research and Development Organization (DRDO) Chair at IISc. DRM, BJ, RV thankfully acknowledge financial support from the Aeronautics Research & Development Board through the project ACECOST-Phase III at the Indian Institute of Science. DRM thankfully acknowledges DRDO Chair Professorship at the Indian Institute of Science during finalising this paper. BJ also acknowledges financial support as Mari Curie Visiting Researcher at Bauhaus University, Germany through the project Multiscale Fracture.

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