铜
沸石
星团(航天器)
化学
离子键合
再分配(选举)
吸收(声学)
从头算
无机化学
粒径
化学物理
金属
离子
催化作用
物理化学
材料科学
有机化学
复合材料
程序设计语言
法学
政治
计算机科学
政治学
作者
В. С. Гурин,Vitalii Petranovskii
出处
期刊:Studies in Surface Science and Catalysis
日期:2004-01-01
卷期号:: 1661-1669
被引量:3
标识
DOI:10.1016/s0167-2991(04)80692-x
摘要
Copper incorporated into zeolites by the ion-exchange from Cu(II) solutions followed by different heat treatments results in a production of a number of species. Redistribution among different sites after dehydration, spontaneous and forced reduction, cluster and particle aggregation, etc. can occur, and a final copper state depends on type of zeolite, SiO2/Al2O3 molar ratio and processing conditions. It covers various species of the ionic nature, small particles and clusters. We concentrate on the appearance of small copper clusters feasible in zeolites with size of cavities those match the cluster size. The clusters were simulated with ab initio quantum chemical calculations in the range of 5
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