A theoretical study of acrylonitrile adsorption on Si(001)
The present work is a comparative study of possible adsorption structures of the conjugated molecule acrylonitrile on Si(001) employing the state of the art pseudopotential method, within a generalized gradient approximation to the density functional theory. In the recent literature it is proposed t...
| Main Authors: | León-Pérez, F. de, Miotto, Ronei, Ferraz, Armando Corbani |
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| Format: | Artigo |
| Language: | English |
| Published: |
Sociedade Brasileira de Física
2017
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| Subjects: | |
| Online Access: |
http://repositorio.unb.br/handle/10482/26253 https://dx.doi.org/10.1590/S0103-97332004000400052 |
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