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Title: First Principles Studies of Phase Stability and Reaction Dynamics in Complex Metal Hydrides

Complex metal hydrides are believed to be one of the most promising materials for developing hydrogen storage systems that can operate under desirable conditions. At the same time, these are also a class of materials that exhibit intriguing properties. We have used state-of-the-art computational techniques to study the fundamental properties of these materials.
Authors:
Publication Date:
OSTI Identifier:
1158675
Report Number(s):
DOE-GTRC-ER46229
DOE Contract Number:
FG02-05ER46229
Resource Type:
Technical Report
Research Org:
Georgia Tech Research Corporation, Atlanta GA
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Orgs:
Georgia Institute of Technology
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 25 ENERGY STORAGE; 08 HYDROGEN