Two-component structural phase-field crystal models for graphene symmetries

We extend the three-point XPFC model of Seymour & Provatas (Seymour & Provatas 2016 Phys. Rev. B 93, 035447 (doi:10.1103/PhysRevB.93.035447)) to two components to capture chemical vapour deposition-grown graphene, and adapt a previous two-point XPFC model of Greenwood et al. (Greenwood et al...

Full description

Saved in:
Bibliographic Details
Published inPhilosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences Vol. 376; no. 2113; pp. 1 - 13
Main Authors Elder, K. L. M., Seymour, M., Lee, M., Hilke, M., Provatas, N.
Format Journal Article
LanguageEnglish
Published THE ROYAL SOCIETY 28.02.2018
Online AccessGet full text

Cover

More Information
Summary:We extend the three-point XPFC model of Seymour & Provatas (Seymour & Provatas 2016 Phys. Rev. B 93, 035447 (doi:10.1103/PhysRevB.93.035447)) to two components to capture chemical vapour deposition-grown graphene, and adapt a previous two-point XPFC model of Greenwood et al. (Greenwood et al. 2011 Phys. Rev. B 84, 064104 (doi:10.1103/PhysRevB.84.064104)) into a simple model of two-component graphene. The equilibrium properties of these models are examined and the two models are compared and contrasted. The first model is used to study the possible roles of hydrogen in graphene grain boundaries. The second model is used to study the role of hydrogen in the dendritic growth morphologies of graphene. The latter results are compared with new experiments. This article is part of the theme issue ‘From atomistic interfaces to dendritic patterns’.
ISSN:1364-503X
1471-2962