Hydrogen Storage and Quantum Level Calculations
PI: James Davenport
Study of hydrogen storage, based on quantum level calculations which will determine the amounts and energetics of hydrogen storage in various metals, with a goal to design efficient compounds to effect the storage. The calculations will determine the energy of absorption of hydrogen into finite clusters of palladium as a first step, since there is experimental data for this problem. Not only the bulk energy, but the surface energy will be determined and for nanoclusters, the surface energy will play an important role. Also planned are the study of mixtures, especially ones less costly and of lower weight, for practical hydrogen storage in automotive applications. (DOE)