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Atomic and electronic structure of hydrogen-related centers in hydrogen storage materials

โœ Scribed by Chris G. Van de Walle; A. Peles; A. Janotti; G.B. Wilson-Short

Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
314 KB
Volume
404
Category
Article
ISSN
0921-4526

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The electronic structure of two types of hydrogen storage materials has been investigated by ab initio band structure methods. We show that the helium produced by the radioactive decay of tritium in a palladium matrix remains stable at the octahedral site of the fcc lattice for He/Pd ratio of at lea