Glycine Adsorption on Silicon (001)
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| Natura: | Artículo científico |
| Lingua: | en |
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Sociedade Brasileira de Física
2006
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| _version_ | 1876480704414482432 |
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| author | A. C. Ferraz |
| author_facet | A. C. Ferraz |
| contents | Glycine Adsorption on Silicon (001) A. C. Ferraz R. Miotto Física, Astronomía y Matemáticas Silicon (001) Glycine adsorption Density functional theory In this work we employ the state of the art pseudopotential method, within a generalized gradient approximationto the density functional theory, to investigate the dissociative adsorption process of glycine on thesilicon surface. Our total energy calculations indicate that the chemisorption of the molecule is as follow. Thegas phase NH2C2H2OOH adsorbs molecularly to the electrophilic surface Si atom and then dissociates intoNH2C2H2OO and H, bonded to the electrophilic and nucleophilic surface silicon dimer atoms respectively,with an energy barrier corresponding to a thermal activation that is smaller than the usual growth temperature,indicating that glycine molecules will be observed in their dissociated states at room temperature. This pictureis further support by our calculated vibrational modes for the considered adsorbed species. 2006 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46436320 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.2A Vol.36 |
| format | Artículo científico |
| id | redalyc_46436320 |
| institution | Redalyc |
| language | en |
| publishDate | 2006 |
| publisher | Sociedade Brasileira de Física |
| spellingShingle | Glycine Adsorption on Silicon (001) A. C. Ferraz Física, Astronomía y Matemáticas Silicon (001) Glycine adsorption Density functional theory Glycine Adsorption on Silicon (001) A. C. Ferraz R. Miotto Física, Astronomía y Matemáticas Silicon (001) Glycine adsorption Density functional theory In this work we employ the state of the art pseudopotential method, within a generalized gradient approximationto the density functional theory, to investigate the dissociative adsorption process of glycine on thesilicon surface. Our total energy calculations indicate that the chemisorption of the molecule is as follow. Thegas phase NH2C2H2OOH adsorbs molecularly to the electrophilic surface Si atom and then dissociates intoNH2C2H2OO and H, bonded to the electrophilic and nucleophilic surface silicon dimer atoms respectively,with an energy barrier corresponding to a thermal activation that is smaller than the usual growth temperature,indicating that glycine molecules will be observed in their dissociated states at room temperature. This pictureis further support by our calculated vibrational modes for the considered adsorbed species. 2006 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46436320 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.2A Vol.36 |
| title | Glycine Adsorption on Silicon (001) |
| topic | Física, Astronomía y Matemáticas Silicon (001) Glycine adsorption Density functional theory |
| url | https://www.redalyc.org/articulo.oa?id=46436320 |