Deciphering Electronic and Structural Effects in Copper Corrole/Graphene Hybrids**

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datacite.alternateIdentifier.citationChemistry - A European Journal, 29 (25), 2023
datacite.alternateIdentifier.doi10.1002/chem.202203175
datacite.alternateIdentifier.issn0947-6539
datacite.creatorWrighton-Araneda, Kerry
datacite.creatorCortés-Arriagada, Diego
datacite.creatorDreyse, Paulina A.
datacite.creatorPascal, Simon
datacite.creatorCanard, Gabriel
datacite.creatorSanhueza, Luís Manuel
datacite.date2023
datacite.rightsRegistro bibliográfico
datacite.subjectAdsorption
datacite.subjectCorroles
datacite.subjectDft Calculations
datacite.subjectMagnetism
datacite.subjectSurface Science
datacite.subjectCopper Compounds
datacite.subjectHybrid Materials
datacite.subjectHybrid Systems
datacite.subjectSpin Polarization
datacite.subjectCorroles
datacite.subjectDft Calculation
datacite.subjectElectronic Effects
datacite.subjectHybrids Material
datacite.subjectMagnetic Response
datacite.subjectMaterial-based
datacite.subjectNoncovalent
datacite.subjectSpin Transfer
datacite.subjectStructural Effect
datacite.subjectSurface Science
datacite.subjectGraphene
datacite.titleDeciphering Electronic and Structural Effects in Copper Corrole/Graphene Hybrids**
dc.contributor.authorSANHUEZA FRIGOLETT, JUAN MANUEL
dc.description.abstractNon-covalent hybrid materials based on graphene and A<inf>3</inf>-type copper corrole complexes were computationally investigated. The corroles complexes contain strong electron-withdrawing fluorinated substituents at the meso positions. Our results show that the non-innocent character of corrole moiety modulates the structural, electronic, and magnetic properties once the hybrid systems are held. The graphene-corrole hybrids displayed outstanding stability via the interplay of dispersion and electrostatic driving forces, while graphene act as an electron reservoir. The hybrid structures exposed an intriguing magneto-chemical performance, compared to the isolated counterparts, that evidenced how structural and electronic effects contributed to the magnetic response for both ferromagnetic and antiferromagnetic cases. Directional spin polarization and spin transfer from the corrole to the graphene surface participate in the amplification. Finally, there are relations between the spin transfer, the magnetic response, and the copper distorted ligand field, offering exciting hints about modulating the magnetic response. Therefore, this work shows that copper corroles emerged as versatile building blocks for graphene hybrid materials, especially in applications requiring a magnetic response. © 2023 Elsevier B.V., All rights reserved.
dc.description.ia_keywordgraphene, corrole, magnetic, hybrid, copper, response, structural
dc.identifier.issn1521-3765
dc.identifier.urihttps://repositoriodigital.uct.cl/handle/10925/5309
dc.language.isoen
dc.publisherWiley
dc.relationinstname: ANID
dc.relationreponame: Repositorio Digital RI2.0
dc.rights.driverinfo:eu-repo/semantics/openAccess
dc.sourceChemistry - A European Journal
dc.subject.ia_odsODS 8: Trabajo decente y crecimiento económico
dc.subject.ia_oecd1nCiencias Naturales
dc.subject.ia_oecd2nCiencias Físicas
dc.subject.ia_oecd3nQuímica
dc.type.driverinfo:eu-repo/semantics/article
dc.type.driverhttp://purl.org/coar/resource_type/c_2df8fbb1
dc.type.openaireinfo:eu-repo/semantics/publishedVersion
dspace.entity.typePublication
oaire.citationEdition2023
oaire.citationIssue25
oaire.citationTitleChemistry - A European Journal
oaire.citationVolume29
oaire.fundingReferenceANID ECOS C19E07
oaire.fundingReferenceANID FONDECYT 11181187, 1201173, 1210355, 3200270
oaire.fundingReferenceANID FONDEQUIP EQM180180
oaire.fundingReferenceUNIVERSIDAD TECNOLÓGICA METROPOLITANA L318-04
oaire.fundingReferenceNLHPC ECM-02
oaire.licenseConditionCopyright © Wiley-VCH GmbH, 2023
oaire.resourceTypeArtículo
oaire.resourceType.enArticle
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relation.isAuthorOfPublication.latestForDiscoverye9afcfba-e767-447c-9c5b-9e98d0f12944
uct.catalogadorjvu
uct.comunidadRecursos Naturalesen_US
uct.departamentoDepartamento de Ciencias Biológicas y Químicas
uct.facultadFacultad de Recursos Naturales
uct.indizacionScience Citation Index Expanded - SCIE
uct.indizacionScopus
uct.indizacionScimago
uct.indizacionChemical Abstracts Service (CAS)
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