Mechanical alloying and electronic simul
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D.W. Zhou; S.L. Li; R.A. Varin; P. Peng; J.S. Liu; F. Yang
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Article
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2006
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Elsevier Science
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English
β 921 KB
2MgβFe powder mixture was milled in hydrogen atmosphere to prepare materials for hydrogen storage. The microstructure and dehydrogenating property of the milled system were examined. Then energy and electronic structure of the hydride phase were investigated by using a first-principles plane-wave ps