Electronic structure of small copper oxide clusters: From Cu2O to Cu2O4

被引：127
|
作者：
Wang, LS
Wu, HB
Desai, SR
Lou, L
机构：
[1] PACIFIC NW LAB, ENVIRONM MOL SCI LAB, RICHLAND, WA 99352 USA
[2] RICE UNIV, RICE QUANTUM INST, HOUSTON, TX 77251 USA
[3] RICE UNIV, DEPT CHEM, HOUSTON, TX 77251 USA
[4] RICE UNIV, DEPT PHYS, HOUSTON, TX 77251 USA
来源：
PHYSICAL REVIEW B | 1996年 / 53卷 / 12期
关键词：
D O I：
10.1103/PhysRevB.53.8028
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We study the electronic structure of copper oxide clusters, Cu2Ox (x=1-4), using anion photoelectron spectroscopy and density-functional calculations. The experiment is used to successfully guide a computational search for the cluster geometries. The predicted electron affinities at the obtained cluster structures reproduce exactly the trend observed experimentally. The definitive determination of the cluster structures enables a detailed analysis of the chemical bonding and electronic structure involving Cu atoms in different oxidation states exhibited by these clusters.
引用
收藏
页码：8028 / 8031
页数：4
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