Enhanced Cooperativity in Supported Spin-Crossover Metal-Organic Frameworks
Groizard, Thomas (Université de Rennes)
Papior, Nick (Institut Català de Nanociència i Nanotecnologia)
Le Guennic, Boris (Université de Rennes)
Robert, Vincent (Université de Strasbourg)
Kepenekian, Mikaël (Institut des Sciences Chimiques de Rennes)
Fecha: |
2017 |
Resumen: |
The impact of surface deposition on cooperativity is explored in Au(111)-supported self-assembled metal-organic frameworks (MOFs) based on Fe(II) ions. Using a thermodynamic model, we first demonstrate that dimensionality reduction combined with deposition on a metal surface is likely to deeply enhance the spin-crossover cooperativity, going from γ = 16 K for the bulk material to γ2D = 386 K for its 2D supported derivative. On the basis of density functional theory, we then elucidate the electronic structure of a promising Fe-based MOF. A chemical strategy is proposed to turn a weakly interacting magnetic system into a strongly cooperative spin-crossover monolayer with γMOF = 83 K. These results open a promising route to the fabrication of cooperative materials based on SCO Fe(II) platforms. |
Ayudas: |
European Commission 676598
|
Derechos: |
Tots els drets reservats. |
Lengua: |
Anglès |
Documento: |
Article ; recerca ; Versió sotmesa a revisió |
Materia: |
Chemical strategy ;
Dimensionality reduction ;
Magnetic system ;
Metal organic framework ;
Metalorganic frameworks (MOFs) ;
Spin crossovers ;
Surface deposition ;
Thermodynamic model |
Publicado en: |
Journal of physical chemistry letters, Vol. 8, Issue 14 (July 2017) , p. 3415-3420, ISSN 1948-7185 |
DOI: 10.1021/acs.jpclett.7b01248
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Registro creado el 2020-06-25, última modificación el 2022-09-10