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Structure, thermodynamics, and rearrangement mechanisms in gold clusters—insights from the energy landscapes framework
We consider finite-size and temperature effects on the structure of model Au(N) clusters (30 ≤ N ≤ 147) bound by the Gupta potential. Equilibrium behaviour is examined in the harmonic superposition approximation, and the size-dependent melting temperature is also bracketed using molecular dynamics s...
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| Publicado no: | Nanoscale |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Royal Society of Chemistry
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5901115/ https://ncbi.nlm.nih.gov/pubmed/29319705 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c7nr07123j |
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