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Ab Initio Study on Nitrogen or Carbon Doped Magnesium Oxide

โœ Scribed by Yao-Fang Zhang; Hong Liu; Wu, J.; Xu Zuo


Book ID
114654691
Publisher
IEEE
Year
2011
Tongue
English
Weight
302 KB
Volume
47
Category
Article
ISSN
0018-9464

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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