Elucidating the role of 1-dimensional metal-oxide chains in the physical and chemical properties of porous metal-organic frameworks by means of density functional theory calculations Ghent University
Metal-organic frameworks (MOFs) are nanoporous materials consisting of metal clusters linked by organic molecules. The possible variation of these building blocks provides great opportunities for focussed design, demanding detailed insights in the role they play in the MOFs’ overall properties.
Atomic scale modelling provides a powerful tool for the investigation of the role these separate building blocks play. I will investigate this ...