期刊名称：Computational Methods in Science and Technology
印刷版ISSN：1505-0602
出版年度：2011
卷号：17
期号：1-2
页码：75-85
出版社：Poznan Supercomputing and Networking Center
摘要：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
关键词：nanoparticles; Pt clusters; density functional theory; catalysis; genetic algorithms
