Structure-based optimization of metal-organic frameworks (MOFs) for green energy applications

We are developing novel MOFs to improve processes such as artificial nitrogen fixation and hydrogen storage. They show higher production rates and greater stability and resistance to aging with respect to current solutions, thanks to the use of deep eutectic solvents in their synthetic procedures and of organic molecules for improving the chemical adsorption, respectively. Static XRD has been already used for a preliminary characterization to asses the degree of crystallinity and identify their crystal phase composition, but knowing the structural changes occurring in operating conditions would allow a structure-based optimization of their functional mechanisms. Samples will be subjected to in situ variations of temperature and gas flow to highlight structural variations. Both long and local order will be characterized by combining XPD, PDF and XAS measurements.