Charge and spin current rectification through functionalized boron nitride bilayers

Página do item simplificado
dc.creatorElizane Efigenia de Moraes
dc.creatorAlysson Alves Pinto
dc.creatorRonaldo Junio Campos Batista
dc.creatorAlan Barros de Oliveira
dc.creatorHelio Chacham
dc.date.accessioned2024-02-19T12:46:05Z
dc.date.accessioned2025-09-09T01:12:08Z
dc.date.available2024-02-19T12:46:05Z
dc.date.issued2022
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.description.sponsorshipFAPESP - Fundação de Amparo à Pesquisa do Estado de São Paulo
dc.identifier.doihttps://doi.org/10.1021/acs.jpcc.2c03608
dc.identifier.issn1932-7455
dc.identifier.urihttps://hdl.handle.net/1843/64156
dc.languageeng
dc.publisherUniversidade Federal de Minas Gerais
dc.relation.ispartofThe Journal of Physical Chemistry C
dc.rightsAcesso Restrito
dc.subjectEstrutura química
dc.subjectOuro
dc.subjectMecânica quântica
dc.subject.otherChemical structure
dc.subject.otherFunctionalization
dc.subject.otherGold
dc.subject.otherQuantum mechanics
dc.subject.otherVesicles
dc.titleCharge and spin current rectification through functionalized boron nitride bilayers
dc.typeArtigo de periódico
local.citation.epage18392
local.citation.issue43
local.citation.spage18383
local.citation.volume126
local.description.resumoRecent experiments have reported the transformation of few-layer hexagonal boron nitride (h-BN) into sp3-bonded c-BN layers through the application of pressure. A proposed mechanism, based on calculations and experiments, is that the phenomenon is facilitated by BN surface functionalization with OH or H radicals. In the present work, we perform ab initio calculations of ballistic electron transport, between Au electrodes, across such functionalized structures. We find that the stabilization of sp3 binding at zero pressure occurs for partial H coverage (≈58%), whereas large OH coverages (>75%) are necessary. Regarding transport properties, we find that all functionalized BN bilayer films present current rectification, consistent with the experimental findings. Maximum rectification occurs for partial OH and H coverages. The films also show spin-dependent transport, where, for a window of values of applied bias, a single spin component contributes to the total current, characterizing a spin filter behavior. Our results indicate that functionalized BN bilayer films are promising materials for the development of electronic devices where both charge and spin degrees of freedom might be manipulated.
local.identifier.orcidhttps://orcid.org/0000-0001-5208-2835
local.identifier.orcidhttps://orcid.org/0000-0002-6381-0321
local.identifier.orcidhttps://orcid.org/0000-0002-7471-4968
local.identifier.orcidhttps://orcid.org/0000-0002-6803-2223
local.identifier.orcidhttps://orcid.org/0000-0001-5041-9094
local.publisher.countryBrasil
local.publisher.departmentICX - DEPARTAMENTO DE FÍSICA
local.publisher.initialsUFMG
local.url.externahttps://pubs.acs.org/doi/full/10.1021/acs.jpcc.2c03608

Arquivos

Licença do pacote

Agora exibindo 1 - 1 de 1
Imagem de Miniatura
Nome:
License.txt
Tamanho:
1.99 KB
Formato:
Plain Text
Descrição:
Baixar

Coleções

Artigo de Periódico

Logo UFMG