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Handbook of Materials Modeling pp 1–20Cite as

Modeling Disordered and Nanostructured Graphene

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Abstract

Being isolated for the first time in 2004, graphene has started an entire new field of two-dimensional (2D) materials driven by novel properties and phenomena observed in these materials as well as their potential technological applications. Due to their low-dimensional nature, the effects of lattice disorder and boundaries in 2D materials are enhanced in comparison to bulk materials. This chapter covers the most important contributions of computational modeling to predicting the structure and properties of lattice imperfections in graphene, namely, the point defects, topological defects, and edges, and draws connections to the subsequent experimental works confirming these predictions.

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Acknowledgments

This work was supported by the Graphene Flagship consortium (Grant agreement No. 696656) and by the NCCR MARVEL, funded by the Swiss National Science Foundation.

Author information

Authors and Affiliations

  1. Institute of Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland

    Oleg V. Yazyev

Authors
  1. Oleg V. Yazyev
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Corresponding author

Correspondence to Oleg V. Yazyev .

Editor information

Editors and Affiliations

  1. Institute of Physics, École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland

    Wanda Andreoni

  2. Department of Nuclear Science & Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA

    Sidney Yip

Section Editor information

  1. Institute of Physics, Swiss Federal Institute of Technology - Lausanne, Lausanne, Switzerland

    Wanda Andreoni

  2. Department of Nuclear Science & Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA

    Sidney Yip

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Yazyev, O.V. (2018). Modeling Disordered and Nanostructured Graphene. In: Andreoni, W., Yip, S. (eds) Handbook of Materials Modeling. Springer, Cham. https://doi.org/10.1007/978-3-319-50257-1_19-1

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  • DOI: https://doi.org/10.1007/978-3-319-50257-1_19-1

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  • Publisher Name: Springer, Cham

  • Print ISBN: 978-3-319-50257-1

  • Online ISBN: 978-3-319-50257-1

  • eBook Packages: Springer Reference Physics and AstronomyReference Module Physical and Materials ScienceReference Module Chemistry, Materials and Physics

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