Structure sensitivity in adsorption: CO interaction with stepped and reconstructed Pt surfaces

被引：0
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作者：
B. Hammer
O.H. Nielsen
J.K. Nrskov
机构：
来源：
Catalysis Letters | 1997年 / 46卷
关键词：
Adsorption Energy; Band Center; Structure Sensitivity; Kink Site; Chemisorption Energy;
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学科分类号：
摘要：
The structure sensitivity of CO adsorption on different flat, stepped, kinked and reconstructed Pt surfaces is studied using large-scale density-functional calculations. We find an extremely strong structure sensitivity in the adsorption energy with variations up to 1 eV (or 100%) from one structure to the next. We propose a model to explain this behavior, and use it to discuss more generally the origin of structure sensitivity in heterogeneous catalysis.
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页码：31 / 35
页数：4
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