Searching for the optimum structures of alloy nanoclusters
Research output: Contribution to journal › Article
Colleges, School and Institutes
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.
|Number of pages||10|
|Journal||Physical Chemistry Chemical Physics|
|Publication status||Published - 1 Jan 2008|