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Cited by 379

The DOI matches its Crossref record; 43 of the 43 references it cites were found in a registry or an index.

Theoretical study of Cu–Au nanoalloy clusters using a genetic algorithm

Darby, Sarah, Mortimer-Jones, Thomas V., Johnston, Roy L., Roberts, Christopher·2002·The Journal of Chemical Physics

Abstract

A study has been made of the structures and stabilities of copper and gold clusters and copper–gold nanoalloy clusters, with up to 56 atoms, modeled by the many-body Gupta potential. For pure copper clusters, the lowest energy structures are found to be based on icosahedral packing, while pure gold clusters tend to form less symmetrical (often amorphous) structures. In a number of cases, the replacement of a single gold atom by copper is found to be sufficient to convert the structure to that of the more symmetrical copper cluster. The lowest energy clusters are generally more difficult to find for the bimetallic clusters than for the pure metallic clusters, due to the presence of homotops (related by permuting Cu and Au atoms), as well as geometrical isomers. The structures of the lowest energy bimetallic clusters exhibit primarily icosahedral packing, with (CuAu)M and (CuAu3)M clusters tending to form layered structures and (Cu3Au)M clusters showing greater Cu–Au mixing.

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Metadata

Authors
Darby, S., Mortimer-Jones, T. V., Johnston, R. L., & Roberts, C.
Venue
The Journal of Chemical Physics
Published
2002-01-22
Volume
116
Issue
4
Pages
1536-1550
ISSN
  • 0021-9606 (ISSN-L)
  • 1089-7690
OpenAlex
W2030929351
Cited by
379
References
43
FWCI
12.09
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: Theoretical study of Cu–Au nanoalloy clusters using a genetic algorithm. https://app.cochat.ai/papers/10.1063/1.1429658
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Darby, S., Mortimer-Jones, T. V., Johnston, R. L., & Roberts, C. (2002). Theoretical study of Cu–Au nanoalloy clusters using a genetic algorithm. The Journal of Chemical Physics. https://doi.org/10.1063/1.1429658

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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.