Two-stage melting of au-pd nanoparticles
Several series of molecular dynamics runs were performed to simulate the melting transition of bimetallic cuboctahedral nanoparticles of gold-palladium at different relative concentrations to study their structural properties before, in, and after the transition. The simulations were made in the can...
| Autores principales: | , , , , |
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| Formato: | Artículo |
| Lenguaje: | inglés |
| Publicado: |
American Chemical Society
2006
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| Materias: | |
| Acceso en línea: | http://eprints.uanl.mx/8958/1/Two-Stage%20Melting%20of%20Au-Pd%20Nanoparticles.pdf |
| _version_ | 1824370880232292352 |
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| author | Mejía Rosales, Sergio Fernández Navarro, Carlos Javier Pérez Tijerina, Eduardo Montejano Carrizales, Juan Martín Yacamán, Miguel José |
| author_facet | Mejía Rosales, Sergio Fernández Navarro, Carlos Javier Pérez Tijerina, Eduardo Montejano Carrizales, Juan Martín Yacamán, Miguel José |
| author_sort | Mejía Rosales, Sergio |
| collection | Repositorio Institucional |
| description | Several series of molecular dynamics runs were performed to simulate the melting transition of bimetallic cuboctahedral nanoparticles of gold-palladium at different relative concentrations to study their structural properties before, in, and after the transition. The simulations were made in the canonical ensemble, each series covering a range of temperatures from 300 to 980 K, using the Rafii-Tabar version of the Sutton and Chen interatomic potential for metallic alloys. We found that the melting transition temperature has a strong dependence on the relative concentrations of the atomic species. We also found that, previous to the melting transition, the outer layer of the nanoparticle gets disordered in what can be thought as a premelting stage, where Au atoms near the surface migrate to the surface and remain there after the particle melts as a whole. The melting of the surface below Tm is consistent with studies of the interaction of a TEM electron beam with Au and Au-Pd nanoparticles. |
| format | Article |
| id | eprints-8958 |
| institution | UANL |
| language | English |
| publishDate | 2006 |
| publisher | American Chemical Society |
| record_format | eprints |
| spelling | eprints-89582016-02-05T21:46:46Z http://eprints.uanl.mx/8958/ Two-stage melting of au-pd nanoparticles Mejía Rosales, Sergio Fernández Navarro, Carlos Javier Pérez Tijerina, Eduardo Montejano Carrizales, Juan Martín Yacamán, Miguel José Q Ciencias en General QC Física Several series of molecular dynamics runs were performed to simulate the melting transition of bimetallic cuboctahedral nanoparticles of gold-palladium at different relative concentrations to study their structural properties before, in, and after the transition. The simulations were made in the canonical ensemble, each series covering a range of temperatures from 300 to 980 K, using the Rafii-Tabar version of the Sutton and Chen interatomic potential for metallic alloys. We found that the melting transition temperature has a strong dependence on the relative concentrations of the atomic species. We also found that, previous to the melting transition, the outer layer of the nanoparticle gets disordered in what can be thought as a premelting stage, where Au atoms near the surface migrate to the surface and remain there after the particle melts as a whole. The melting of the surface below Tm is consistent with studies of the interaction of a TEM electron beam with Au and Au-Pd nanoparticles. American Chemical Society 2006 Article PeerReviewed text en cc_by_nc_nd http://eprints.uanl.mx/8958/1/Two-Stage%20Melting%20of%20Au-Pd%20Nanoparticles.pdf http://eprints.uanl.mx/8958/1.haspreviewThumbnailVersion/Two-Stage%20Melting%20of%20Au-Pd%20Nanoparticles.pdf Mejía Rosales, Sergio y Fernández Navarro, Carlos Javier y Pérez Tijerina, Eduardo y Montejano Carrizales, Juan Martín y Yacamán, Miguel José (2006) Two-stage melting of au-pd nanoparticles. The journal of physical chemistry B, 110. pp. 12884-12889. ISSN 1520-6106 |
| spellingShingle | Q Ciencias en General QC Física Mejía Rosales, Sergio Fernández Navarro, Carlos Javier Pérez Tijerina, Eduardo Montejano Carrizales, Juan Martín Yacamán, Miguel José Two-stage melting of au-pd nanoparticles |
| thumbnail | https://rediab.uanl.mx/themes/sandal5/images/online.png |
| title | Two-stage melting of au-pd nanoparticles |
| title_full | Two-stage melting of au-pd nanoparticles |
| title_fullStr | Two-stage melting of au-pd nanoparticles |
| title_full_unstemmed | Two-stage melting of au-pd nanoparticles |
| title_short | Two-stage melting of au-pd nanoparticles |
| title_sort | two stage melting of au pd nanoparticles |
| topic | Q Ciencias en General QC Física |
| url | http://eprints.uanl.mx/8958/1/Two-Stage%20Melting%20of%20Au-Pd%20Nanoparticles.pdf |
| work_keys_str_mv | AT mejiarosalessergio twostagemeltingofaupdnanoparticles AT fernandeznavarrocarlosjavier twostagemeltingofaupdnanoparticles AT pereztijerinaeduardo twostagemeltingofaupdnanoparticles AT montejanocarrizalesjuanmartin twostagemeltingofaupdnanoparticles AT yacamanmigueljose twostagemeltingofaupdnanoparticles |