Phase Transitions in Metal Clusters and Cluster Catalysts

作者：Berry R S^*; Smirnov B M

来源：Journal of Physical Chemistry A, 2009, 113(52): 14220-14226.

DOI：10.1021/jp9017053

Comparing the phase transitions of metal clusters with those of dielectric clusters shows that although the relative energies of the phase transitions for metals is typically less than those of dielectrics, other parameters of the phase transitions such as the entropy jumps and the relative widths of the coexistence bands are comparable for the two kinds of clusters. The dominating special characteristic of metal clusters is the large number of isomers with low excitation energy, in contrast with dielectric clusters, whose liquid aggregate states, generated by configurational excitation requiring fairly significant energies (relative to the atomic bond energy), have a significantly smaller density. This is partially due to the contribution of low-lying electronic excited states of the metal clusters. We analyze hysteresis in the phase transitions of large metal clusters as a result of cluster heating and cooling. The experimental and theoretical aspects of metal clusters as catalysts are considered.

• 出版日期2009-12-31