Hydrogen Quantum States, Dynamics, and Nanoconfined Melting In Potassium Intercalated Graphite
J. Brandon Keith1, Justin Purewal1, Channing Ahn1, Brent Fultz1 and Nicholas D. Souza2, (1)Division of Engineering and Applied Science, California Institute of Technology, 1200 E California Blvd, Pasadena, CA 91125, (2)Intense Pulsed Neutron Source, Argonne National Labs, 9700 S. Cass Avenue, Argonne, IL 60439

Understanding hydrogen's interactivity with storage materials is essential to a hydrogen economy. Using neutron diffraction, isotherm measurements, and inelastic and quasielastic neutron scattering from hydrogen in stage II potassium graphite intercalated graphite, we have made a comprehensive study of hydrogen self- and host-interaction at a range of temperatures (10-120 K) and pressures. We have identified rotational and translational quantum states and have modeled these using phonon-generated simulated neutron scattering and diffusive scattering from quantum-corrected or delocalized molecular dynamics. We have also modeled hydrogen's hydrodynamics and predict a large elevation of the melting temperature due to nanoconfinement.

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Hydrogen Separation and Storage

The Preliminary Program for 2008 Annual Meeting