Searching for the optimum structures of alloy nanoclusters

Research output: Contribution to journalArticle

Authors

Colleges, School and Institutes

Abstract

Recent advances in computational methods for searching for the most stable structures of alloy nanoparticles are reviewed. A methodology based on extensive global optimization searches within an empirical potential model in conjunction with structure recognition algorithms and subsequent density-functional local relaxation of the lowest-energy structures pertaining to each different structural basin is proposed. Applications to different systems, including Cu-Ag, Cu-Au, Ni-Ag, Co-Ag, Co-Au, Ni-Au and Pd-Pt clusters, are presented.

Details

Original languageEnglish
Pages (from-to)640-649
Number of pages10
JournalPhysical Chemistry Chemical Physics
Volume10
Issue number5
Publication statusPublished - 1 Jan 2008