Investigating size effects in graphene–BN hybrid monolayers: a combined density functional theory-molecular dynamics study-Reference-Cited by-同舟云学术

Investigating size effects in graphene–BN hybrid monolayers: a combined density functional theory-molecular dynamics study

Published:2021 Issue:21 Volume:11 Page:12595-12606
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Oliveira I. S.¹²³⁴⁵,Lima J. S.¹⁶⁷⁵,Freitas A.¹⁶⁷⁵^ORCID,Bezerra C. G.¹⁶⁷⁵^ORCID,Azevedo S.¹²³⁴⁵^ORCID,Machado L. D.¹⁶⁷⁵^ORCID

Affiliation:

1. Departamento de Física

2. CCEN

3. Universidade Federal da Paraíba

4. João Pessoa

5. Brazil

6. Universidade Federal do Rio Grande do Norte

7. Natal

Abstract

We combine Density Functional Theory and Molecular Dynamics to study graphene–BN monolayers ranging from 2 nm to 100 nm. We find that the mechanical properties are independent of scale when we increase graphene and the BN domain proportionately.

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Fundação de Apoio à Pesquisa do Estado da Paraíba

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/RA/D1RA00316J

Reference76 articles.

1. P.Avouris , et al. , 2017 , https://books.google.com.br/books?id=9s8oDwAAQBAJ

2. Honeycomb Carbon: A Review of Graphene

3. Graphene: Status and Prospects

4. Synthesis of Graphene and Its Applications: A Review

5. Atomically Thin Boron Nitride: Unique Properties and Applications

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