| People | Locations | Statistics |
|---|---|---|
| Naji, M. |
| |
| Motta, Antonella |
| |
| Aletan, Dirar |
| |
| Mohamed, Tarek |
| |
| Ertürk, Emre |
| |
| Taccardi, Nicola |
| |
| Kononenko, Denys |
| |
| Petrov, R. H. | Madrid |
|
| Alshaaer, Mazen | Brussels |
|
| Bih, L. |
| |
| Casati, R. |
| |
| Muller, Hermance |
| |
| Kočí, Jan | Prague |
|
| Šuljagić, Marija |
| |
| Kalteremidou, Kalliopi-Artemi | Brussels |
|
| Azam, Siraj |
| |
| Ospanova, Alyiya |
| |
| Blanpain, Bart |
| |
| Ali, M. A. |
| |
| Popa, V. |
| |
| Rančić, M. |
| |
| Ollier, Nadège |
| |
| Azevedo, Nuno Monteiro |
| |
| Landes, Michael |
| |
| Rignanese, Gian-Marco |
|
Sapnik, Af
University of Copenhagen
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (11/11 displayed)
- 2024Transient intermediate in the formation of an amorphous metal-organic frameworkcitations
- 2023Interfacial Bonding between a Crystalline Metal-Organic Framework and an Inorganic Glasscitations
- 2023Mapping nanocrystalline disorder within an amorphous metal–organic frameworkcitations
- 2023Structural insights into hybrid immiscible blends of metal–organic framework and sodium ultraphosphate glassescitations
- 2022Modeling the Effect of Defects and Disorder in Amorphous Metal-Organic Frameworkscitations
- 2021Melting of hybrid organic–inorganic perovskitescitations
- 2021Stepwise collapse of a giant pore metal-organic frameworkcitations
- 2021Mixed hierarchical local structure in a disordered metal–organic frameworkcitations
- 2020A new route to porous metal-organic framework crystal-glass compositescitations
- 2018Compositional inhomogeneity and tuneable thermal expansion in mixed-metal ZIF-8 analoguescitations
- 2018Uniaxial negative thermal expansion and metallophilicity in Cu3[Co(CN)6]citations
Places of action
| Organizations | Location | People |
|---|
article
Uniaxial negative thermal expansion and metallophilicity in Cu3[Co(CN)6]
Abstract
<p>We report the synthesis and structural characterisation of the molecular framework copper(I) hexacyanocobaltate(III), Cu<sub>3</sub>[Co(CN)<sub>6</sub>], which we find to be isostructural to H<sub>3</sub>[Co(CN)<sub>6</sub>] and the colossal negative thermal expansion material Ag<sub>3</sub>[Co(CN)<sub>6</sub>]. Using synchrotron X-ray powder diffraction measurements, we find strong positive and negative thermal expansion behaviour respectively perpendicular and parallel to the trigonal crystal axis: α<sub>a</sub>=25.4(5)MK<sup>−1</sup> and α<sub>c</sub>=−43.5(8)MK<sup>−1</sup>. These opposing effects collectively result in a volume expansivity α<sub>V</sub>=7.4(11)MK<sup>−1</sup> that is remarkably small for an anisotropic molecular framework. This thermal response is discussed in the context of the behaviour of the analogous H- and Ag-containing systems. We make use of density-functional theory with many-body dispersion interactions (DFT + MBD) to demonstrate that Cu<sup>+</sup>…Cu<sup>+</sup> metallophilic (‘cuprophilic’) interactions are significantly weaker in Cu<sub>3</sub>[Co(CN)<sub>6</sub>] than Ag<sup>+</sup>…Ag<sup>+</sup> interactions in Ag<sub>3</sub>[Co(CN)<sub>6</sub>], but that this lowering of energy scale counterintuitively translates to a more moderate—rather than enhanced—degree of structural flexibility. The same conclusion is drawn from consideration of a simple GULP model, which we also present here. Our results demonstrate that strong interactions can actually be exploited in the design of ultra-responsive materials if those interactions are set up to act in tension.</p>