DFT studies on the Pd-n(n=2-13) clusters
- 化学化工－已发表论文 
In this paper geometry structures of Pd-n(n=2-13) clusters are investigated by using density functional theory(DFT). The most stable cluster structures are in a lower symmetry due to the Jahn-Teller distortions. A variety of structures are very close in energy at the same clusters size. The mean polarizability of an atom in palladium clusters displays an oscillation behavior and the value of the odd-numbered cluster is relatively higher than that of even-size one.