IV . C . 6 High - Capacity Hydrogen Storage Systems via

• Use prototype electrostatic ground states (PEGS) [1] and multi-gas canonical linear programming (MGCLP) [2] tools to screen for stable hypersalts of Si-based borohydrides of the type (A/AE)xSiy(BH4)z, in which A and AE are light alkali and alkaline earth metals, respectively. Identify candidates that provide finitetemperature enthalpies within 27 ± 10 kJ/mol-H2. The new Si-BHs are expected to have H-contents of at least 10 wt% and volumetric capacity in excess of 130 g H2/L. • Synthesize the most promising Si-BHs identified computationally using mechanochemical processes involving metathesis (exchange) reactions, and characterize the newly synthesized borohydrides by X-ray diffraction (XRD), solid state nuclear magnetic resonance (SSNMR), and gas volumetric pressurecomposition-temperature techniques.