Next Article in Journal
Lights Out! Nano-Scale Topography Imaging of Sample Surface in Opaque Liquid Environments with Coated Active Cantilever Probes
Previous Article in Journal
Visible Light Driven Heterojunction Photocatalyst of CuO–Cu2O Thin Films for Photocatalytic Degradation of Organic Pollutants
Article Menu

Export Article

Open AccessArticle

Steric Interference in Bilayer Graphene with Point Dislocations

1
Escuela Técnica Superior de Ingeniería, University of Seville, 41092 Seville, Spain
2
Division of Engineering and Applied Science, California Institute of Technology, Pasadena, CA 91125, USA
*
Author to whom correspondence should be addressed.
Nanomaterials 2019, 9(7), 1012; https://doi.org/10.3390/nano9071012
Received: 21 June 2019 / Revised: 2 July 2019 / Accepted: 5 July 2019 / Published: 14 July 2019
  |  
PDF [81446 KB, uploaded 14 July 2019]
  |  

Abstract

We present evidence of strong steric interference in bilayer graphene containing offset point dislocations. Calculations are carried out with Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) using the Long-Range Carbon Bond-Order Potential (LCBOP) potential of Los et al.. We start by validating the potential in the harmonic response by comparing the predicted phonon dispersion curves to experimental data and other potentials. The requisite force constants are derived by linearization of the potential and are presented in full form. We then continue to validate the potential in applications involving the formation of dislocation dipoles and quadrupoles in monolayer configurations. Finally, we evaluate a number of dislocation quadrupole configurations in monolayer and bilayer graphene and document strong steric interactions due to out-of-plane displacements when the dislocations on the individual layers are sufficiently offset with respect to each other. View Full-Text
Keywords: graphene; force constants model; distributed dislocations graphene; force constants model; distributed dislocations
Figures

Figure 1

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).
SciFeed

Share & Cite This Article

MDPI and ACS Style

Arca, F.; Mendez, J.P.; Ortiz, M.; Ariza, P. Steric Interference in Bilayer Graphene with Point Dislocations. Nanomaterials 2019, 9, 1012.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Nanomaterials EISSN 2079-4991 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top