CH3CN on Si(001): Adsorption Geometries and Electronic Structure
In this work we employ the state of the art pseudopotential method, within a generalized gradient approximationto the density functional theory, to investigate the adsorption process of acetonitrile on the silicon surface. Ourfirst-principles calculations indicate that CH3CN adsorbs via a [2+2] cycl...
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| Pubblicato in: | Brazilian Journal of Physics |
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| Autori principali: | , , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Sociedade Brasileira de Física
2004
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| Soggetti: | |
| Accesso online: | https://www.redalyc.org/articulo.oa?id=46434444 |
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