Skip to Main content Skip to Navigation
Journal articles

Enhanced Cooperativity in Supported Spin-Crossover Metal-Organic Frameworks

Abstract : 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 gamma(3D) = 16 K for the bulk material to gamma(supp)(2D) = 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 gamma(Au(111))(MOF) = 83 K. These results open a promising route to the fabrication of cooperative materials based on SCO Fe(II) platforms.
Document type :
Journal articles
Complete list of metadatas

Cited literature [42 references]  Display  Hide  Download

https://hal-univ-rennes1.archives-ouvertes.fr/hal-01578535
Contributor : Laurent Jonchère <>
Submitted on : Tuesday, December 5, 2017 - 12:56:17 PM
Last modification on : Friday, July 10, 2020 - 4:15:19 PM

File

Enhanced Cooperativity in Supp...
Files produced by the author(s)

Identifiers

Citation

Thomas Groizard, Nick Papior, Boris Le Guennic, Vincent Robert, Mikael Kepenekian. Enhanced Cooperativity in Supported Spin-Crossover Metal-Organic Frameworks. Journal of Physical Chemistry Letters, American Chemical Society, 2017, 8 (14), pp.3415-3420. ⟨10.1021/acs.jpclett.7b01248⟩. ⟨hal-01578535⟩

Share

Metrics

Record views

182

Files downloads

182