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First-principles study of structural stability, magnetism, and hyperfine coupling in hydrogen clusters adsorbed on graphene

โœ Scribed by Ranjbar, Ahmad; Bahramy, Mohammad Saeed; Khazaei, Mohammad; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki


Book ID
121363364
Publisher
The American Physical Society
Year
2010
Tongue
English
Weight
629 KB
Volume
82
Category
Article
ISSN
1098-0121

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First-principles study on stability and
โœ Xiao-Jun Ren; Bao-Xing Li ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 422 KB

We have investigated the structures, stabilities and magnetism of zinc-doped Al n (n =1-9) clusters in detail by using first-principles density functional theory. Our calculated results indicate that the ground state structures of the mixed Al n Zn (n = 1-9) clusters doped with one zinc atom can be