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

Benjamin Curley; G Rossi; R Ferrando; Roy Johnston

doi:10.1140/epjd/e2007-00091-y

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

Benjamin Curley
, G Rossi
, R Ferrando
, Roy Johnston

Chemistry

Research output: Contribution to journal › Article

28 Citations (Scopus)

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.

Original language	English
Pages (from-to)	53-56
Number of pages	4
Journal	European Physical Journal D
Volume	43
Issue number	1-3
DOIs	https://doi.org/10.1140/epjd/e2007-00091-y
Publication status	Published - 1 Jul 2007

Access to Document

10.1140/epjd/e2007-00091-y

Cite this

@article{1f7027d3308846dfb950cc0a8059f05b,

title = "Theoretical study of structure and segregation in 38-atom Ag-Au nanoalloys",

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.",

author = "Benjamin Curley and G Rossi and R Ferrando and Roy Johnston",

year = "2007",

month = jul,

day = "1",

doi = "10.1140/epjd/e2007-00091-y",

language = "English",

volume = "43",

pages = "53--56",

journal = "European Physical Journal D",

issn = "1434-6079",

publisher = "EDP Sciences",

number = "1-3",

}

TY - JOUR

T1 - Theoretical study of structure and segregation in 38-atom Ag-Au nanoalloys

AU - Curley, Benjamin

AU - Rossi, G

AU - Ferrando, R

AU - Johnston, Roy

PY - 2007/7/1

Y1 - 2007/7/1

N2 - 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.

AB - 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.

U2 - 10.1140/epjd/e2007-00091-y

DO - 10.1140/epjd/e2007-00091-y

M3 - Article

SN - 1434-6079

VL - 43

SP - 53

EP - 56

JO - European Physical Journal D

JF - European Physical Journal D

IS - 1-3

ER -

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

Abstract

Access to Document

Fingerprint

Cite this