Publication Date:
2011-02-26
Description:
Author(s): Wenhao Q. Sun, C. Wolverton, A. R. Akbarzadeh, and V. Ozolins We use a combination of first-principles density functional calculations along with the recently developed grand canonical linear programing method to predict a novel, high-capacity hydrogen storage reaction with thermodynamics suitable for near-ambient reversible storage. Unlike the vast majority o... [Phys. Rev. B 83, 064112] Published Fri Feb 25, 2011
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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