Buckled graphene: A model study based on density functional theory

Yasser Khan; Mohsin Ahmed Mukaddam; Udo Schwingenschlögl

doi:10.1016/j.cplett.2010.08.059

Buckled graphene: A model study based on density functional theory

Yasser Khan, Mohsin Ahmed Mukaddam, Udo Schwingenschlögl

Research output: Contribution to journal › Article › peer-review

7 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 language	English (US)
Pages (from-to)	157-161
Number of pages	5
Journal	Chemical Physics Letters
Volume	498
Issue number	1-3
DOIs	https://doi.org/10.1016/j.cplett.2010.08.059
State	Published - Sep 2010

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

Access to Document

10.1016/j.cplett.2010.08.059

Cite this

@article{fa2c6ed5cd0541bd93d8982d72f91bf0,

title = "Buckled graphene: A model study based on density functional theory",

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. {\textcopyright} 2010 Elsevier B.V. All rights reserved.",

author = "Yasser Khan and Mukaddam, {Mohsin Ahmed} and Udo Schwingenschl{\"o}gl",

note = "KAUST Repository Item: Exported on 2020-10-01",

year = "2010",

month = sep,

doi = "10.1016/j.cplett.2010.08.059",

language = "English (US)",

volume = "498",

pages = "157--161",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

number = "1-3",

}

TY - JOUR

T1 - Buckled graphene: A model study based on density functional theory

AU - Khan, Yasser

AU - Mukaddam, Mohsin Ahmed

AU - Schwingenschlögl, Udo

N1 - KAUST Repository Item: Exported on 2020-10-01

PY - 2010/9

Y1 - 2010/9

N2 - 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.

AB - 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.

UR - http://hdl.handle.net/10754/561531

UR - https://linkinghub.elsevier.com/retrieve/pii/S0009261410011632

UR - http://www.scopus.com/inward/record.url?scp=77957016382&partnerID=8YFLogxK

U2 - 10.1016/j.cplett.2010.08.059

DO - 10.1016/j.cplett.2010.08.059

M3 - Article

SN - 0009-2614

VL - 498

SP - 157

EP - 161

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-3

ER -

Buckled graphene: A model study based on density functional theory

Abstract

Bibliographical note

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this