Crystal Chemistry of Hydrogen in Intermetallic Compounds

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Presentation transcript:

Crystal Chemistry of Hydrogen in Intermetallic Compounds Earle Ryba

Crystal Chemistry of Hydrogen in Intermetallic Compounds Need way to store and transport hydrogen in future ‘hydrogen society’

Crystal Chemistry of Hydrogen in Intermetallic Compounds Need way to store and transport hydrogen in future ‘hydrogen society’ As gas? – very hi press.

Crystal Chemistry of Hydrogen in Intermetallic Compounds Need way to store and transport hydrogen in future ‘hydrogen society’ As gas? – very hi press. As liq.? – very low temp.

Crystal Chemistry of Hydrogen in Intermetallic Compounds Need way to store and transport hydrogen in future ‘hydrogen society’ As gas? – very hi press. As liq.? – very low temp. As solid? – is this possible?

Many intermetallic compounds absorb significant quantities of H2 Storage of 4 kg H2

For example – LaNi5 & LaNi5H7 structures – from neutron diffraction studies Ni La possible H sites

Crystal Chemistry of Hydrogen in Intermetallic Compounds H atom jumps in LaNi5

Crystal Chemistry of Hydrogen in Intermetallic Compounds H atom sites in TaV2

What needs to be done? For known hydrogen storage intermetallic compounds & their hydrides:

What needs to be done? For known hydrogen storage intermetallic compounds & their hydrides: calculate bond distances & angles, hydrogen interstice sizes, CN #s, possible (hybrid) bond orbitals

What needs to be done? For known hydrogen storage intermetallic compounds & their hydrides: calculate bond distances & angles, hydrogen interstice sizes, CN #s, possible (hybrid) bond orbitals 2. investigate effects of atom type to which H is bonded, alloy substitution, thermal motion

What needs to be done? For known hydrogen storage intermetallic compounds & their hydrides: calculate bond distances & angles, hydrogen interstice sizes, CN #s, possible (hybrid) bond orbitals 2. investigate effects of atom type to which H is bonded, alloy non-stoichiometry, thermal motion 3. look for correlations, trends, directions for possible new hydrogen storage materials, hydrides for future detailed structure studies

Crystal Chemistry of Hydrogen in Intermetallic Compounds To download ppt and/or word files on H storage & Ti-Ru-Al alloy development, see: www.ems.psu.edu/~ryba/thesistopics/

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