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We aim at replacing the conventional solvent water with DESs for two main purposes: i) replace a “passive” medium as water with an “active” one, in order to gain control on the interfacial charge and proton transfer mechanisms; ii) minimize the production of undesired hydrogen coming from the reduction of water. As a proton source for the reduction of nitrogen to ammonia, enough water will be added to DES. After initial tests, we will also explore the possibility to run the photocatalytic process in pure protic DESs, with DES itself acting as a proton donor
The availability of new structural knowledge about the interaction of DES components within MOFs (static structure) will allow better design of MOF-DESs. The characterization of structural variations in the bulk MOFs (changes in porosity, lattice cell expansion) and in the conformation of the functional ligands (changes in orientation, position, crystallographic occupancy within a crystal) will allow to optimize MOFs for specific applications. Both static and dynamic structural knowledge, coupled with advanced computational modeling, will improve understanding of the MOF-DES structure-activity relationship and the optimization of their properties in view of practical utilizations.