Evidence of kinetic trapping in clusters of C60 molecules.
Molecular dynamics simulations of the growth of nanoclusters of C60 provide convincing evidence that experimental magic numbers, which are associated with structures based on Mackay icosahedra, are of kinetic origin. This finding resolves a long-standing contradiction between the experimental observ...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
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2002
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| _version_ | 1826295718931857408 |
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| author | Baletto, F Doye, J Ferrando, R |
| author_facet | Baletto, F Doye, J Ferrando, R |
| author_sort | Baletto, F |
| collection | OXFORD |
| description | Molecular dynamics simulations of the growth of nanoclusters of C60 provide convincing evidence that experimental magic numbers, which are associated with structures based on Mackay icosahedra, are of kinetic origin. This finding resolves a long-standing contradiction between the experimental observations and the theoretically predicted most stable structures. Our results show that, even if a sticky intermolecular potential energetically disfavors icosahedral structures, the latter are frequently produced because the stickiness of the potential itself enhances kinetic trapping phenomena. |
| first_indexed | 2024-03-07T04:05:21Z |
| format | Journal article |
| id | oxford-uuid:c5f4cd29-9bf6-4391-bbb0-77f1328ac5ae |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T04:05:21Z |
| publishDate | 2002 |
| record_format | dspace |
| spelling | oxford-uuid:c5f4cd29-9bf6-4391-bbb0-77f1328ac5ae2022-03-27T06:34:45ZEvidence of kinetic trapping in clusters of C60 molecules.Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:c5f4cd29-9bf6-4391-bbb0-77f1328ac5aeEnglishSymplectic Elements at Oxford2002Baletto, FDoye, JFerrando, RMolecular dynamics simulations of the growth of nanoclusters of C60 provide convincing evidence that experimental magic numbers, which are associated with structures based on Mackay icosahedra, are of kinetic origin. This finding resolves a long-standing contradiction between the experimental observations and the theoretically predicted most stable structures. Our results show that, even if a sticky intermolecular potential energetically disfavors icosahedral structures, the latter are frequently produced because the stickiness of the potential itself enhances kinetic trapping phenomena. |
| spellingShingle | Baletto, F Doye, J Ferrando, R Evidence of kinetic trapping in clusters of C60 molecules. |
| title | Evidence of kinetic trapping in clusters of C60 molecules. |
| title_full | Evidence of kinetic trapping in clusters of C60 molecules. |
| title_fullStr | Evidence of kinetic trapping in clusters of C60 molecules. |
| title_full_unstemmed | Evidence of kinetic trapping in clusters of C60 molecules. |
| title_short | Evidence of kinetic trapping in clusters of C60 molecules. |
| title_sort | evidence of kinetic trapping in clusters of c60 molecules |
| work_keys_str_mv | AT balettof evidenceofkinetictrappinginclustersofc60molecules AT doyej evidenceofkinetictrappinginclustersofc60molecules AT ferrandor evidenceofkinetictrappinginclustersofc60molecules |