Deciphering electronic and structural effects in Copper Corrole/Graphene Hybrids

Autor: Kerry Wrighton‐Araneda, Diego Cortés‐Arriagada, Paulina Dreyse, Simon Pascal, Gabriel Canard, Luis Sanhueza
Přispěvatelé: Universidad Tecnológica Metropolitana (UTEM), Universidad Tecnica Federico Santa Maria [Valparaiso] (UTFSM), Centre Interdisciplinaire de Nanoscience de Marseille (CINaM), Aix Marseille Université (AMU)-Centre National de la Recherche Scientifique (CNRS), Universidad Católica de Temuco (UCT)
Rok vydání: 2023
Předmět:
Zdroj: Chemistry-A European Journal
Chemistry-A European Journal, In press, ⟨10.1002/chem.202203175⟩
ISSN: 1521-3765
0947-6539
DOI: 10.1002/chem.202203175⟩
Popis: International audience; Non-covalent hybrid materials based on graphene and A3-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.
Databáze: OpenAIRE
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