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篇目详细内容 |
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【篇名】 |
Interaction of oxygen with 4 ? carbon nanotubes |
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【刊名】 |
Frontiers of Physics in China |
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【刊名缩写】 |
Front. Phys. China |
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【ISSN】 |
1673-3487 |
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【EISSN】 |
1673-3606 |
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【DOI】 |
10.1007/s11467-007-0032-5 |
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【出版社】 |
Higher Education Press and Springer-Verlag |
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【出版年】 |
2007 |
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【卷期】 |
2
卷2期 |
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【页码】 |
171-177
页,共
7
页 |
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【作者】 |
LIU Hui-jun;
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【关键词】 |
density functional theory; carbon nanotubes; oxygen adsorption; reaction path |
【摘要】 |
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We review our density functional study of oxygen adsorption on the outer surface of 4 ? single-wall carbon nanotubes, which have been recently synthesized using a templating method. The stability of these 4 ? tubes under ambient conditions is investigated by the nudged elastic band technique and further confirmed by the experimentally measured Raman spectra. Different adsorption pictures of singlet O2 could be used to select a single chirality from a mixture of these ultra-small radius tubes. |
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