文献类型：期刊文献

英文题名：Comparative study on the structure and properties of small C_n and NaC_n clusters

作者：Liang, X.[1];Luo, Y. -H.[1];Feng, X. -J.[1];Cao, T. T.[1];Zhao, L. X.[1]

机构：[1]E China Univ Sci & Technol, Dept Phys, Shanghai 200237, Peoples R China

年份：2008

卷号：46

期号：1

起止页码：93

外文期刊名：EUROPEAN PHYSICAL JOURNAL D

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000252159300014)】；

语种：英文

摘要：The structures, binding energies, and electronic properties of C-n and NaCn (n = 2-12) clusters have been systematically investigated using density functional theory (DFT). A number of previously undiscovered isomers of NaCn clusters are reported, including fan-like, linear and three-dimensional structures. Moreover, NaCn clusters with even n are found to be more stable than those with odd n, in contrast with the case of C-n clusters.