Multi-diagnostic NMR/DRS spectroscopy for H2 storage in nano-confined hydrates.

Hydrogen storage and transportation is the main technological bottleneck preventing widespread implementation of hydrogen as sustainable energy vector. Hydrogen hydrates exhibit great potential for compact energy storage of hydrogen, even though the extreme pressure and temperature conditions required for their formation in bulk, has impeded practical application. Hydrophobic nanoscale confinement of water altering the structure and H-bonding network of water have been demonstrated to assist formation of hydrogen clathrates at much milder pressures and temperatures, and by tuning surface chemistry and porosity of the confining material, excellent hydrogen storage capacities have been predicted.Both for the development nano-confined of hydrogen hydrate storage systems and for fundamental studies of nano-confined water, the combination of materials tailored to provide the optimal nano-confinement with in situ static and magic angle spinning (MAS) 1D and 2D NMR spectroscopy and X-Ray scattering, provides the way forward. The overall goal of the project is to investigate water and water/hydrogen mixtures in hydrophobic nano-confinement using in situ multinuclear 1D and 2D NMR and X-ray/DRS methods to obtain novel scientific insights into the molecular organization of confined water, ice and hydrogen clathrate hydrate. The hydrophobic nano-confinement will be provided by periodic mesoporous organosilica host materials specifically synthesized for this project. The overarching goals are to identify the properties of the nano-confinement (pore size, shape and functionality) providing either enhanced stability of hydrogen clathrates or providing access to the so-called “No man’s land”, and to create a toolbox of NMR methods and infrastructure to routinely provide in situ static and magic angle spinning (MAS) 1H and 2D NMR spectroscopy of confined water.