Intercalation of Al into MC (M =&#x
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Denis Music; Helmut KΓΆlpin; Moritz to Baben; Jochen M. Schneider
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Article
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2009
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Elsevier Science
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English
β 739 KB
The energetics of point defects and twins in MC x (x < 1, M = Ti, V, Cr, space group Fm 3m) was studied using density functional theory. Our goal is to contribute towards understanding the underlying atomic mechanisms enabling the Al intercalation into MC x . As the valence electron concentration is