A density functional study of Br on Cu(100) at low coverages
Density functional theory has been used to study the adsorption of Br on Cu(1 0 0) at low coverages. As expected, the most stable binding site for Br atoms is the fourfold hollow site. The barrier for Br hopping between adjacent hollow sites along 〈0 1 1〉 directions via twofold saddle points is esti...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2003
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