Model calculations for copper clusters on Au(111) surfaces

Mario Del Popolo, E.P.M. Leiva, W. Schmickler

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

Using the semi-empirical embedded-atom method, the structure of small copper clusters on Au(111) surfaces has been investigated both by static and dynamic calculations. By varying the size of roughly circular clusters, the edge energy per atom is obtained; it agrees quite well with estimates based on experimental results. Small three-dimensional clusters tend to have the shape of a pyramid, whose sides are oriented in the directions of small surface energy. The presence of a cluster is found to distort the underlying lattice of adsorbed copper atoms. (C) 2002 Published by Elsevier Science B.V.
Original languageEnglish
Pages (from-to)84-90
Number of pages7
JournalJournal of Electroanalytical Chemistry
Volume518
Issue number2
Publication statusPublished - 25 Jan 2002

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Copper
Atoms
Interfacial energy
Direction compound

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Del Popolo, M., Leiva, E. P. M., & Schmickler, W. (2002). Model calculations for copper clusters on Au(111) surfaces. Journal of Electroanalytical Chemistry, 518(2), 84-90.
Del Popolo, Mario ; Leiva, E.P.M. ; Schmickler, W. / Model calculations for copper clusters on Au(111) surfaces. In: Journal of Electroanalytical Chemistry. 2002 ; Vol. 518, No. 2. pp. 84-90.
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Del Popolo, M, Leiva, EPM & Schmickler, W 2002, 'Model calculations for copper clusters on Au(111) surfaces', Journal of Electroanalytical Chemistry, vol. 518, no. 2, pp. 84-90.

Model calculations for copper clusters on Au(111) surfaces. / Del Popolo, Mario; Leiva, E.P.M.; Schmickler, W.

In: Journal of Electroanalytical Chemistry, Vol. 518, No. 2, 25.01.2002, p. 84-90.

Research output: Contribution to journalArticle

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Del Popolo M, Leiva EPM, Schmickler W. Model calculations for copper clusters on Au(111) surfaces. Journal of Electroanalytical Chemistry. 2002 Jan 25;518(2):84-90.