Skip navigation
Por favor, use este identificador para citar o enlazar este ítem: http://uvadoc.uva.es/handle/10324/2521
Título: Correlation between the latent heats and cohesive energies of metal clusters
Autor: Starace, Anne K.
Neal, Colleen M.
Cao, Baopeng
Jarrold, Martin F.
Aguado, Andrés
López, José Manuel
Año del Documento: 2008
Editorial: American Institute of Physics
Descripción: Producción Científica
Documento Fuente: Journal of Chemical Physics, v. 129, n. 14, (2008) p. 1-10
Resumen: Dissociation energies have been determined for Al_n^+ clusters (n = 25–83) using a new experimental approach that takes into account the latent heat of melting. According to the arguments presented here, the cohesive energies of the solidlike clusters are made up of contributions from the dissociation energies of the liquidlike clusters and the latent heats for melting. The size-dependent variations in the measured dissociation energies of the liquidlike clusters are small and the variations in the cohesive energies of solidlike clusters result almost entirely from variations in the latent heats for melting. To compare with the measured cohesive energies, density-functional theory has been used to search for the global minimum energy structures. Four groups of low energy structures were found: Distorted decahedral fragments, fcc fragments, fcc fragments with stacking faults, and “disordered.” For most cluster sizes, the measured and calculated cohesive energies are strongly correlated. The calculations show that the variations in the cohesive energies (and the latent heats) result from a combination of geometric and electronic shell effects. For some clusters an electronic shell closing is responsible for the enhanced cohesive energy and latent heat (e.g., n = 37), while for others (e.g., n = 44) a structural shell closing is the cause.
Materias (normalizadas): Materia-Estructura
Revisión por Pares: SI
DOI: 10.1063/1.2987720
Version del Editor: http://dx.doi.org/10.1063/1.2987720
Propietario de los Derechos: © Todos los derechos reservados
Idioma: eng
URI: http://uvadoc.uva.es/handle/10324/2521
Derechos: info:eu-repo/semantics/restrictedAccess
Aparece en las colecciones:DEP33 - Artículos de revista

Ficheros en este ítem:
Fichero Descripción TamañoFormato 
JChemPhys_129_144702.pdf605,17 kBAdobe PDFThumbnail
Visualizar/Abrir


Los ítems de UVaDOC están protegidos por copyright, con todos los derechos reservados, a menos que se indique lo contrario.

Comentarios
Universidad de Valladolid
Powered by MIT's. DSpace software, Version 5.5