First-principles study of palladium atom
First-principles study of palladium atom adsorption on the boron- or nitrogen-doped carbon nanotubes
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Guo-Xiang Chen; Jian-Min Zhang; Dou-Dou Wang; Ke-Wei Xu
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Article
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2009
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Elsevier Science
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English
โ 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