Substrate Dependence of Growth Configurations for Co–Cu Bimetallic Clusters

Yang, Jianyu; Hu, Wangyu; Wu, Yaowen; Dai, Xiongying

doi:10.1021/cg300195z

Cited by 29 publications

(12 citation statements)

References 44 publications

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“…EAM represents many-body interactions, and EAM parameters are optimized to describe lattice parameter, cohesive energy, bulk modulus, elastic constant, and vacancy formation energy. This model, which provides a good description of multi-body interactions, has been applied to study metals and bimetallic nanoparticles (Yang et al , 2012.…”

Section: Simulation Approachmentioning

confidence: 99%

Simultaneous melting of shell and core atoms, a molecular dynamics study of lithium–copper nanoalloys

Tang

Yang

2015

J Nanopart Res

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Melting of nanoalloys originates from the alloy surface and gradually propagates into the interior region. The thermal stability of Li cores and Cu shells nanoalloy with size of 3.5 nm is studied through molecular dynamics and embedded atom method with the use of potential energy, Lindemann index, and radial distribution function. Results show that the shell and core Li atoms are melted in two steps: first, some Li atoms in the core migrate to the nanoalloy surface and maintain a typical solid state despite that the system temperature is higher than the bulk melting point of Li because of Li solidification in the solidliquid interface; second, the shell and core Li atoms are simultaneously melted at high temperatures. A comparative study of Li@Cu nanoalloys with different Li atomic numbers shows that thermal stability is enhanced with the decreasing number of Li atoms within the nanoalloys because of weak binding for Cu thin shells.

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Section: Simulation Approachmentioning

confidence: 99%

Simultaneous melting of shell and core atoms, a molecular dynamics study of lithium–copper nanoalloys

Tang

Yang

2015

J Nanopart Res

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“…23 Second, the Cu atoms are smaller, which leads to their preferential location inside the core as a mechanism for relieving strain. 3,[24][25][26] As the size of the NP decreases, both of these effects become increasingly important since the surface energy and the strain energy related to the particle size and geometry become increasingly dominant.…”

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confidence: 99%

Equilibrium Cu-Ag nanoalloy structure formation revealed by in situ scanning transmission electron microscopy heating experiments

Chandross

Boyle

et al. 2014

Apl Materials

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Using in situ scanning transmission electron microscopy heating experiments, we observed the formation of a 3-dimensional (3D) epitaxial Cu-core and Ag-shell equilibrium structure of a Cu-Ag nanoalloy. The structure was formed during the thermal interaction of Cu(∼12 nm) and Ag NPs(∼6 nm) at elevated temperatures (150–300 °C) by the Ag NPs initially wetting the Cu NP along its {111} surfaces at one or multiple locations forming epitaxial Ag/Cu (111) interfaces, followed by Ag atoms diffusing along the Cu surface. This phenomenon was confirmed through Monte Carlo simulations to be a nanoscale effect related to the large surface-to-volume ratio of the NPs.

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“…This model, which provides a good description for multi-body interaction, has been applied to study metals and bimetallic nanoparticles. 7,8 The functions and parameters of the present EAM model for the Fe-Al system can be found in our previous paper. 7 The surface energies and lattice constants of the two elements are particularly important for the growth simulation of the nanoalloy.…”

Section: Simulation Methodsmentioning

confidence: 99%

Effect of incident energy on the configuration of Fe–Al nanoparticles, a molecular dynamics simulation of impact deposition

Yang

Tang

2014

RSC Adv.

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The impact deposition of Al (or Fe) atoms on the rhombohedron of Fe (or the truncated octahedron of Al) nanoparticles is investigated by performing a molecular dynamics simulation using the embedded atom method. These simulations are performed in different incident energies (from 10 eV to 50 eV). The dependence of the incident energy of deposited atoms on the growth configurations of Fe-Al nanoparticles is analyzed. For the deposition of Al atoms on the Fe nanoparticle, some Al atoms are incorporated into the Fe core as the incident energy of Al increases. A nanoparticle configuration with Fe-core and Al-shell is usually observed at all incident energies considered. In this case, the substrate Fe atoms and the deposited Al atoms are arranged in body-centered cubic configuration. For the impact deposition of Fe atoms on the Al nanoparticle, an onion-like nanoparticle is observed at incident energy of 10 eV. A configuration with Al-shell and alloyed Fe-Al core is obtained as the incident energy increases. This study proposes a method of artificially controlling nanoalloy configuration.

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Substrate Dependence of Growth Configurations for Co–Cu Bimetallic Clusters

Cited by 29 publications

References 44 publications

Simultaneous melting of shell and core atoms, a molecular dynamics study of lithium–copper nanoalloys

Simultaneous melting of shell and core atoms, a molecular dynamics study of lithium–copper nanoalloys

Equilibrium Cu-Ag nanoalloy structure formation revealed by in situ scanning transmission electron microscopy heating experiments

Effect of incident energy on the configuration of Fe–Al nanoparticles, a molecular dynamics simulation of impact deposition

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