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Theoretical study of structure and segregation in 38-atom Ag-Au nanoalloys

  • Structure and Thermodynamics of Free Clusters
  • Published:
The European Physical Journal D Aims and scope Submit manuscript

Abstract.

Ag–Au bimetallic “nanoalloy” clusters with 38 atoms have been studied using a Gupta many-body potential combined with a genetic algorithm search technique. Clear changes in structure are observed as a function of Ag/Au composition and there is a clear tendency for surface segregation of the Ag atoms. Cluster stability is found to increase with increasing number of Au-Au and Ag-Au bonds and the segregation has been rationalised in terms of bonds strengths and elemental surface energies.

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Authors and Affiliations

  1. Theoretical Chemistry, School of Chemistry, University of Birmingham, Edgbaston, Birmingham, UK

    B. C. Curley & R. L. Johnston

  2. Istituto Nazionale per la Fisica della Materia (INFM) and Istituto dei Materiali per l'Elettronica ed il Magnetismo/Consiglio Nazionale delle Ricerche (IMEM/CNR), Dipartimento di Fisica dell'Università di Genova, via Dodecaneso 33, I, 16146, Genova, Italy

    G. Rossi & R. Ferrando

Authors
  1. B. C. Curley
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  2. G. Rossi
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  3. R. Ferrando
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  4. R. L. Johnston
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Correspondence to R. L. Johnston.

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Curley, B., Rossi, G., Ferrando, R. et al. Theoretical study of structure and segregation in 38-atom Ag-Au nanoalloys. Eur. Phys. J. D 43, 53–56 (2007). https://doi.org/10.1140/epjd/e2007-00091-y

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  • DOI: https://doi.org/10.1140/epjd/e2007-00091-y

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