Open AccessFirst Principles Studies of Phase Stability and Reaction Dynamics in Complex Metal Hydrides
Author(s) -
M. Y. Chou
Publication year - 2014
Publication title -
bulletin of the american physical society
Language(s) - English
Resource type - Reports
DOI - 10.2172/1158675
Subject(s) - metal , hydrogen storage , materials science , phase (matter) , stability (learning theory) , nanotechnology , hydrogen , chemical physics , computational chemistry , chemistry , computer science , metallurgy , organic chemistry , machine learning
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.
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