Contact:
Ian Robertson
(217) 333-6776
Duane Johnson
(217) 265-0319

Researchers at the University of Illinois at Urbana-Champaign will focus on developing a basic understanding at the atomic level of the structural, chemical and electronic changes controlling the structure-property relationships in solid-state hydrogen storage systems during the hydriding/dehydriding cycles. Emphasis will be placed on elucidating the role (position, chemical state, and bonding) of the catalytic particles and the sensitivity to contaminants. Researchers at the University of Illinois at Urbana-Champaign will focus on developing a basic understanding at the atomic level of the structural, chemical and electronic changes controlling the structure-property relationships in solid-state hydrogen storage systems during the hydriding/dehydriding cycles. Emphasis will be placed on elucidating the role (position, chemical state, and bonding) of the catalytic particles and the sensitivity to contaminants.

We are conducting work in the following areas:

• Determining the structural and chemical changes occurring during the hydriding/dehydriding cycles for candidate complex hydride, lightweight metal hydride systems, and destabilized binary hydrides
• Determining the susceptibility of the storage system to impurity additions
• Using multiple-scattering density-functional-based methods to detail electronic and thermodynamic properties of systems exhibiting partial order due to either thermal or alloying-induced anti-site defects