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, Mg, Al, Si, P, and S) clusters

✍ Scribed by Majumder, Chiranjib; Kandalam, Anil K.; Jena, Puru

Book ID
123611089
Publisher
The American Physical Society
Year
2006
Tongue
English
Weight
341 KB
Volume
74
Category
Article
ISSN
1098-0121

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## Abstract Inspired by the concept of superatom via substitutionally doping an Al~13~ magic cluster, we investigated the H~2~ molecule dissociation on the doped icosahedral Al~12~X (X = B, Al, C, Si, P, Mg, and Ca) clusters by means of density functional theory. The computed reaction energies and