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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Royal Society of Chemistry
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5901115/ https://www.ncbi.nlm.nih.gov/pubmed/29319705 http://dx.doi.org/10.1039/c7nr07123j |