Publication Date:
2011-02-01
Description:
Author(s): Hao Wang, Akinori Tezuka, Hiroshi Ogawa, and Tamio Ikeshoji In order to clarify the effect of Sc and Ti dopants on the stability and structure of sodium alanate, NaAlH_{4} , in bulk and on surface, first-principles calculations on the electronic structure were carried out. The relative thermodynamic stability of the two dopants with and without a H vacancy i... [Phys. Rev. B 83, 045112] Published Mon Jan 31, 2011
Keywords:
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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