nanoparticles, Pt clusters, density functional theory, catalysis, genetic algorithms
Systematic studies on the structure of platinum clusters consisting of N = 2-15 atoms were performed using density functional theory. The results show that up to N = 9 atoms planar structures are as stable as three- dimensional ones. For larger clusters, both distorted and disordered spatial structures are preferred. The global minima of N = 10- and 14-atom clusters were found to possess fcc-like structures with significantly higher stability.