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dc.contributor.author
Rojas Nunez, Javier
dc.contributor.author
Gonzalez Valdes, Rafael Ignacio
dc.contributor.author
Bringa, Eduardo Marcial
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Allende, Sebastian
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Sepúlveda, Pamela
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Arancibia Miranda, Nicolás
dc.contributor.author
Baltazar, Samuel E.
dc.date.available
2020-01-30T20:54:47Z
dc.date.issued
2018-04
dc.identifier.citation
Rojas Nunez, Javier; Gonzalez Valdes, Rafael Ignacio; Bringa, Eduardo Marcial; Allende, Sebastian; Sepúlveda, Pamela; et al.; Toward Controlled Morphology of FeCu Nanoparticles: Cu Concentration and Size Effects; American Chemical Society; Journal of Physical Chemistry C; 122; 15; 4-2018; 8528-8534
dc.identifier.issn
1932-7447
dc.identifier.uri
http://hdl.handle.net/11336/96314
dc.description.abstract
Bimetallic nanoparticles (NPs) can be tailored by varying the concentration of their constituent elements, resulting in novel structures and/or configurations, leading to interesting electronic, mechanical, and chemical properties. In this paper, by means of molecular dynamics calculations, we study the morphology of bimetallic FeCu NPs as a function of the Cu concentration. Our results evidence a core-shell (CS) structure for low Cu concentrations and a Janus (JN)-like morphology for high Cu content. Structural and energy characterizations were performed to determine the atomic-scale behavior of the NPs. Using a continuous model to describe immiscible components, we obtain a stability transition curve between CS and JN-like structures for several NP sizes and concentrations. Results from both methods are compared with experimental data obtained for NPs with low and high Cu content, evidencing a good agreement among the three approaches.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
American Chemical Society
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
NANOPARTICLE
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SIMULATIONS
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FeCu
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Física de los Materiales Condensados
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Ciencias Físicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Toward Controlled Morphology of FeCu Nanoparticles: Cu Concentration and Size Effects
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2020-01-29T22:35:47Z
dc.journal.volume
122
dc.journal.number
15
dc.journal.pagination
8528-8534
dc.journal.pais
Estados Unidos
dc.description.fil
Fil: Rojas Nunez, Javier. Centro para el desarrollo de Nanociencia y Nanotecnología; Chile. Universidad de Santiago de Chile; Chile
dc.description.fil
Fil: Gonzalez Valdes, Rafael Ignacio. Centro para el desarrollo de Nanociencia y Nanotecnología; Chile. Universidad Mayor; Chile
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Fil: Bringa, Eduardo Marcial. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
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Fil: Allende, Sebastian. Universidad de Santiago de Chile; Chile. Centro para el desarrollo de Nanociencia y Nanotecnología; Chile
dc.description.fil
Fil: Sepúlveda, Pamela. Centro para el desarrollo de Nanociencia y Nanotecnología; Chile. Universidad de Santiago de Chile; Chile
dc.description.fil
Fil: Arancibia Miranda, Nicolás. Centro para el desarrollo de Nanociencia y Nanotecnología; Chile. Universidad de Santiago de Chile; Chile
dc.description.fil
Fil: Baltazar, Samuel E.. Universidad de Santiago de Chile; Chile. Centro para el desarrollo de Nanociencia y Nanotecnología; Chile
dc.journal.title
Journal of Physical Chemistry C
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/acs.jpcc.7b11556
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/acs.jpcc.7b11556
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