Graphene/h-BN heterostructures under pressure: from van der Waals to covalent

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dc.creatorAna Paula Moreira Barboza
dc.creatorAlan Custodio dos Reis Souza
dc.creatorMatheus Josué de Souza Matos
dc.creatorJuliana Caldeira Brant
dc.creatorTiago Campolina Barbosa
dc.creatorHelio Chacham
dc.creatorMario Sergio de Carvalho Mazzoni
dc.creatorBernardo Ruegger Almeida Neves
dc.date.accessioned2024-01-01T12:33:21Z
dc.date.accessioned2025-09-08T22:58:08Z
dc.date.available2024-01-01T12:33:21Z
dc.date.issued2019
dc.description.sponsorshipCNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológico
dc.description.sponsorshipFAPEMIG - Fundação de Amparo à Pesquisa do Estado de Minas Gerais
dc.description.sponsorshipCAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
dc.description.sponsorshipINCT – Instituto nacional de ciência e tecnologia (Antigo Instituto do Milênio)
dc.identifier.doihttps://doi.org/10.1016/j.carbon.2019.08.054
dc.identifier.issn1873-3891
dc.identifier.urihttps://hdl.handle.net/1843/62218
dc.languageeng
dc.publisherUniversidade Federal de Minas Gerais
dc.relation.ispartofCarbon
dc.rightsAcesso Restrito
dc.subjectGrafeno
dc.subjectHeteroestrutura
dc.subject.otherGraphene
dc.subject.otherHeterostructures
dc.subject.otherVan der Waals
dc.titleGraphene/h-BN heterostructures under pressure: from van der Waals to covalent
dc.typeArtigo de periódico
local.citation.epage113
local.citation.spage108
local.citation.volume155
local.description.resumoScanning probe microscopy and ab initio calculations reveal modifications on the electronic and structural properties of graphene/h-BN heterostructures induced by compression. Using AFM and EFM techniques, with charge injection being made in the heterostructures at different pressures, the charge injection efficiency monotonically decreases with increasing pressure for monolayer-graphene (MLG)þ BN heterostructures, indicative of a conductor-insulator electronic transition. Bilayer-graphene (BLG)þ BN and trilayer-graphene (TLG)þBN heterostructures show a non-monotonic behavior of charge injection versus pressure, indicative of competing electronic structure modifications. First-principle calculations of these systems indicate a pressure-induced van der Waals-to-covalent interlayer transition, where such interlayer covalent binding, in the presence of water molecules, results in a disordered insulating structure for the MLG þ BN case, while it leads to an ordered conducting structure for both BLG þ BN and TLG þ BN heterostructures. These opposing effects may have a strong influence on graphene/h-BN-based electronic devices and their physics under pressurized environments.
local.identifier.orcidhttps://orcid.org/0000-0002-1807-971X
local.identifier.orcidhttps://orcid.org/0000-0002-8395-9465
local.identifier.orcidhttps://orcid.org/0000-0002-0398-3992
local.identifier.orcidhttps://orcid.org/0000-0002-8931-3403
local.identifier.orcidhttps://orcid.org/0000-0001-6303-4222
local.identifier.orcidhttps://orcid.org/0000-0001-5041-9094
local.identifier.orcidhttps://orcid.org/0000-0001-5897-6936
local.identifier.orcidhttps://orcid.org/0000-0003-0464-4754
local.publisher.countryBrasil
local.publisher.departmentICX - DEPARTAMENTO DE FÍSICA
local.publisher.initialsUFMG
local.url.externahttps://www.sciencedirect.com/science/article/pii/S0008622319308632

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