| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5422984 | Surface Science | 2012 | 9 Pages |
Abstract
⺠We have studied ionic and radical adsorption on Au low-index surfaces. ⺠Cluster and periodic approaches, as well as different DFT functionals are analyzed. ⺠The Au(111) surface seems to be more sensitive to the different model approaches. ⺠The Au(100) and Au(110) surfaces showed to be unaffected by the choice of model. ⺠Adsorption on the Au(110) surface is favored independently of the methods used.
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Authors
Ana M. Pessoa, José L.C. FajÃn, José R.B. Gomes, M. Natália D.S. Cordeiro,