Achievement

Task 2 collaborators Keffer, Barnes, Suraweera and Albert have been working to synthesize and understand structure/property relationships of a nanoporous silicate structure upon which atomically dispersed titanium atoms have been distributed. This material has potential as an on-board vehicular hydrogen storage material. Albert and Barnes are synthesizing new materials in the Chemistry Department. Meanwhile, Suraweera and Keffer are using molecular-level simulations to understand the extent of adsorption of hydrogen within the material. Suraweera has identified energies of adsorption, the location of primary adsorption sites and pair correlation functions between each pair of species (H2-Si, H2-O, H2-Ti, Ti-Ti, etc.) within the system. Variations in the titanium content of the material have been studied to understand the impact on hydrogen storage.