Sulfur Radicals as Tethers for the Adsorption of Aromatic Molecules on Silicon Surface
| Contribuinte(s) |
UNIVERSIDADE DE SÃO PAULO |
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| Data(s) |
06/11/2013
06/11/2013
2012
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| Resumo |
In this work we employ the state of the art pseudopotential method, within a generalized gradient approximation to the density functional theory, to investigate the adsorption process of benzenethiol and diphenyl disulfide with the silicon (001) surface. A direct comparison of different adsorption structures with Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS) allow us to identify that benzenethiol and diphenyl disulfide dissociatively adsorb on the silicon surface. In addition, theoretically obtained data suggests that the C6H5SH:Si(001) presents a higher Schottky barrier height contact when compared to other similar aromatic molecules. FAPESP CNPq |
| Identificador |
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, VALENCIA, v. 9, n. 4, supl. 4, Part 1-2, pp. 541-548, APR, 2012 1546-1955 http://www.producao.usp.br/handle/BDPI/42542 10.1166/jctn.2012.2057 |
| Idioma(s) |
eng |
| Publicador |
AMER SCIENTIFIC PUBLISHERS VALENCIA |
| Relação |
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE |
| Direitos |
closedAccess Copyright AMER SCIENTIFIC PUBLISHERS |
| Palavras-Chave | #DENSITY FUNCTIONAL THEORY #CHEMISORPTION #SURFACE ELECTRONIC PHENOMENA #SILICON #ORGANIC MOLECULES #AUGMENTED-WAVE METHOD #INTERFACES #TEORIA DA DENSIDADE FUNCIONAL #SILÍCIO #FÍSICA APLICADA #CHEMISTRY, MULTIDISCIPLINARY #NANOSCIENCE & NANOTECHNOLOGY #MATERIALS SCIENCE, MULTIDISCIPLINARY #PHYSICS, APPLIED #PHYSICS, CONDENSED MATTER |
| Tipo |
article original article publishedVersion |
