Electronic structure of small copper oxide clusters: From Cu2O to Cu2O4.
نویسندگان
چکیده
We study the electronic structure of copper oxide clusters, Cu2Ox ~x51–4!, 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.
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عنوان ژورنال:
- Physical review. B, Condensed matter
دوره 53 12 شماره
صفحات -
تاریخ انتشار 1996