Buckled graphene: A model study based on density functional theory

Yasser Khan, Mohsin Ahmed Mukaddam, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

Abstract

We make use of ab initio calculations within density functional theory to investigate the influence of buckling on the electronic structure of single layer graphene. Our systematic study addresses a wide range of bond length and bond angle variations in order to obtain insights into the energy scale associated with the formation of ripples in a graphene sheet. © 2010 Elsevier B.V. All rights reserved.
Original languageEnglish (US)
Pages (from-to)157-161
Number of pages5
JournalChemical Physics Letters
Volume498
Issue number1-3
DOIs
StatePublished - Sep 2010

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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