dc.citation.number |
11 |
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dc.citation.title |
PHYSICAL REVIEW B |
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dc.citation.volume |
70 |
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dc.contributor.author |
Han, SW |
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dc.contributor.author |
Yoon, M |
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dc.contributor.author |
Berber, S |
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dc.contributor.author |
Park, Noejung |
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dc.contributor.author |
Osawa, E |
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dc.contributor.author |
Ihm, J |
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dc.contributor.author |
Tomanek, D |
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dc.date.accessioned |
2023-12-22T10:43:18Z |
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dc.date.available |
2023-12-22T10:43:18Z |
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dc.date.created |
2014-11-10 |
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dc.date.issued |
2004-09 |
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dc.description.abstract |
Combining total energy calculations with a search of phase space, we investigate the microscopic fusion mechanism of C60 fullerenes. We find that the (2 + 2) cycloaddition reaction, a necessary precursor for fullerene fusion, may be accelerated inside a nanotube. Fusion occurs along the minimum energy path as a finite sequence of Stone-Wales transformations, determined by a graphical search program. Search of the phase space using the "string method" indicates that Stone-Wales transformations are multistep processes, and provides detailed information about the transition states and activation barriers associated with fusion. |
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dc.identifier.bibliographicCitation |
PHYSICAL REVIEW B, v.70, no.11 |
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dc.identifier.doi |
10.1103/PhysRevB.70.113402 |
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dc.identifier.issn |
2469-9950 |
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dc.identifier.scopusid |
2-s2.0-19744381006 |
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dc.identifier.uri |
https://scholarworks.unist.ac.kr/handle/201301/8521 |
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dc.identifier.url |
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=19744381006 |
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dc.identifier.wosid |
000224209500018 |
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dc.language |
영어 |
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dc.publisher |
AMERICAN PHYSICAL SOC |
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dc.title |
Microscopic mechanism of fullerene fusion |
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dc.type |
Article |
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