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A first-principles study of lithium absorption in boron- or nitrogen-doped single-walled carbon nanotubes

โœ Scribed by Zhen Zhou; Xueping Gao; Jie Yan; Deying Song; Masahiko Morinaga


Book ID
108079569
Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
368 KB
Volume
42
Category
Article
ISSN
0008-6223

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First-principles study of palladium atom
โœ Guo-Xiang Chen; Jian-Min Zhang; Dou-Dou Wang; Ke-Wei Xu ๐Ÿ“‚ Article ๐Ÿ“… 2009 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 516 KB

We have performed first-principles calculation to investigate the adsorption of a single palladium atom on the surface of the pristine and boron-or nitrogen-doped carbon nanotubes (CNTs). The results show that for the adsorption of a single palladium atom on the pristine CNT surface, the most stable