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Ammonia adsorption and saturation on small Si cluster surfaces: a full-potential linear-muffin-tin-orbital molecular-dynamics study

โœ Scribed by Min Qiu; Xu-Yan Zhou; Ming Jiang; Pei-Lin Cao; Zhi Zeng


Book ID
108445141
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
393 KB
Volume
245
Category
Article
ISSN
0375-9601

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A full-potential linear-muffin-tin-orbit
โœ Bao-xing Li; Min Qiu; Pei-lin Cao ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 155 KB

Using the full-potential linear-muffin-tin-orbital molecular-dynamics FP-LMTO-MD method, we have performed calculations on the structures and energies of the small silicon cluster Si . Fourteen stable structures for the Si cluster have 9 9 been obtained, including all the five structures ever repor