Document
type: Class

Structural and magnetic properties of X12 y (X, Y=Fe, Co, Ni, Ru, Rh, Pd, and Pt) nanoalloys
related by: authorship_15165
type: Continuant
abstract: We perform extensive ab initio density-functional calculations to investigate the structures and magnetic moments of the binary clusters X12 Y (X, Y=Fe, Co, Ni, Ru, Rh, Pd, and Pt). Although all the binary clusters Fe12 Y, Co12 Y, Ru12 Y, and Rh12 Y, plus Ni12 Y (Y=Rh, Pd, and Pt) and Pt12 Y (Y=Ru, Rh, and Pd), retain, with more or less distortions, the structures of the corresponding pure X13 clusters, the remaining binary clusters (i.e., a significant number of 12 of all the 42 cases) adopt geometries different from those of the corresponding pure clusters. Independent of the peculiarities of each family of binary clusters, the binding energies of all the binary clusters X12 Ru are bigger than those of the pure X13 clusters, while the binding energies of all the binary clusters X12 Pd are smaller. The clusters investigated exhibit a variety of magnetic behaviors. In the case of Ni12 Rh, we predict a remarkable magnetic cooperative phenomenon that can be attributed to electronic effects associated to the chemical environment through Ni-Rh hybridization. © 2010 American Institute of Physics.
most specific type: Article
type: Information Content Entity
has funding vehicle: Ministerio de Ciencia e Innovación, MICINN
crisid: 2568
doi: 10.1063/1.3427292
e iscopus: 2-s2.0-77952697277
related by: authorship_15164
type: Generically Dependent Continuant
has funding vehicle: Junta de Castilla y León: GR120
has funding vehicle: Consejo Nacional de Ciencia y Tecnología, CONACYT: 2005-50650, C09-FAI-03-27.27 UASLP
artnum: 184507
type: Article
estado: published
date time value: article date 2568
type: Document
origen: scopus
has funding vehicle: European Regional Development Fund, FEDER: FIS2008-02490/FIS, FIS2008-04894/FIS
has publication venue: Journal of Chemical Physics
issue: 18
type: Thing
related by: authorship_15167
type: Entity
most specific type: Document
freetext keyword: Ab initio; Binary clusters; Chemical environment; Cooperative phenomenon; Density-functional calculations; Electronic effects; Magnetic behavior; Nano-alloys; Structural and magnetic properties; Binding energy; Cobalt; Cobalt compounds; Magnetic moments; Magnetic properties; Nuclear energy; Palladium; Platinum; Potential energy; Rhodium; Platinum compounds
related by: authorship_15166
has funding vehicle: Xunta de Galicia: INCITE08PXIB206107PR, INCITE09E2R206033ES
volume: 132

Ministerio de Ciencia e Innovación, MICINN
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type: BFO_0000020
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funding vehicle for: Structural and magnetic properties of X12 y (X, Y=Fe, Co, Ni, Ru, Rh, Pd, and Pt) nanoalloys

Continuant
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Entity
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Xunta de Galicia: INCITE08PXIB206107PR, INCITE09E2R206033ES
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type: BFO_0000020
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type: Continuant
funding vehicle for: Structural and magnetic properties of X12 y (X, Y=Fe, Co, Ni, Ru, Rh, Pd, and Pt) nanoalloys

Journal of Chemical Physics
type: Collection
type: Document
type: Generically Dependent Continuant
publication venue for: Structural and magnetic properties of X12 y (X, Y=Fe, Co, Ni, Ru, Rh, Pd, and Pt) nanoalloys
type: Continuant
type: Entity
type: Periodical
type: Thing
type: Journal
type: Information Content Entity

Generically Dependent Continuant
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RDF description of Structural and magnetic properties of X12 y (X, Y=Fe, Co, Ni, Ru, Rh, Pd, and Pt) nanoalloys - http://orbis.uaslp.mx/vivo/individual/scopus2567
rights: termsOfUse
date: 2026-08-25T06:58:13
publisher: vivo
type: Document

Consejo Nacional de Ciencia y Tecnología, CONACYT: 2005-50650, C09-FAI-03-27.27 UASLP
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type: BFO_0000020
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type: Thing
type: Grant
type: Continuant
funding vehicle for: Structural and magnetic properties of X12 y (X, Y=Fe, Co, Ni, Ru, Rh, Pd, and Pt) nanoalloys

Article
type: Class

Information Content Entity
type: Class

European Regional Development Fund, FEDER: FIS2008-02490/FIS, FIS2008-04894/FIS
type: Relationship
type: BFO_0000020
type: Entity
type: Thing
type: Grant
type: Continuant
funding vehicle for: Structural and magnetic properties of X12 y (X, Y=Fe, Co, Ni, Ru, Rh, Pd, and Pt) nanoalloys

Junta de Castilla y León: GR120
type: Relationship
type: BFO_0000020
type: Entity
type: Thing
type: Grant
type: Continuant
funding vehicle for: Structural and magnetic properties of X12 y (X, Y=Fe, Co, Ni, Ru, Rh, Pd, and Pt) nanoalloys