Interaction of Co6 cluster with γ-alumina surface:: a quantum chemical study

被引：7
作者：
Mikhailov, MN
Zhidomirov, GM
Krylova, AY
机构：
[1] Russian Acad Sci, ND Zelinsky Inst Organ Chem, Moscow, Russia
[2] Russian Acad Sci, GK Boreskov Inst Catlaysis, Siberian Branch, Novosibirsk 630090, Russia
来源：
RUSSIAN CHEMICAL BULLETIN | 2005年 / 54卷 / 10期
关键词：
supported cobalt particles; surface hydroxyl groups of alumina; quantum chemical calculations;
D O I：
10.1007/s11172-006-0108-3
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The interaction Of Co-6 cluster with partially dehydroxylated gamma-alumina surface was studied by the DFT method. Hydrogen atoms of surface hydroxyl groups can be transferred to the metal particle to form partially oxidized cobalt states. The energy characteristics of hydrogen transfer were determined and changes in the electronic structure of supported Co-6 particles were characterized.
引用
收藏
页码：2264 / 2269
页数：6
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