The Complex Thiol-Palladium Interface: A Theoretical and Experimental Study

This paper presents a theoretical study of the surface structures and thermodynamic stability of different thiol and sulfide structures present on the palladium surface as a function of the chemical potential of the thiol species. It has been found that as the chemical potential of the thiol is incr...

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Autores principales: Carro, P., Corthey, Gastón, Rubert, Aldo Alberto, Benitez, Guillermo Alfredo, Fonticelli, Mariano Hernán, Salvarezza, Roberto Carlos
Formato: Articulo
Lenguaje:Inglés
Publicado: 2010
Materias:
Química
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/106656
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SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-106656
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Química
spellingShingle Química
Carro, P.
Corthey, Gastón
Rubert, Aldo Alberto
Benitez, Guillermo Alfredo
Fonticelli, Mariano Hernán
Salvarezza, Roberto Carlos
The Complex Thiol-Palladium Interface: A Theoretical and Experimental Study
topic_facet Química
description This paper presents a theoretical study of the surface structures and thermodynamic stability of different thiol and sulfide structures present on the palladium surface as a function of the chemical potential of the thiol species. It has been found that as the chemical potential of the thiol is increased, the initially clean palladium surface is covered by a ( √ 3 x √ 3)R30º sulfur lattice. Further increase in the thiol pressure or concentration leads to the formation of a denser ( √ 7 x √ 7)R19.1º sulfur lattice, which finally undergoes a phase transition to form a complex ( √ 7 x √ 7)R19.1º sulfurþ thiol adlayer (3/7 sulfur þ 2/7 thiol coverage). This transition is accompanied by a strong reconstruction of the Pd(111) surface. The formation of these surface structures has been explained in terms of the catalytic properties of the palladium surface. These results have been compared with X-ray photoelectron spectroscopy results obtained for thiols adsorbed on different palladium surfaces.
format Articulo
Articulo
author Carro, P.
Corthey, Gastón
Rubert, Aldo Alberto
Benitez, Guillermo Alfredo
Fonticelli, Mariano Hernán
Salvarezza, Roberto Carlos
author_facet Carro, P.
Corthey, Gastón
Rubert, Aldo Alberto
Benitez, Guillermo Alfredo
Fonticelli, Mariano Hernán
Salvarezza, Roberto Carlos
author_sort Carro, P.
title The Complex Thiol-Palladium Interface: A Theoretical and Experimental Study
title_short The Complex Thiol-Palladium Interface: A Theoretical and Experimental Study
title_full The Complex Thiol-Palladium Interface: A Theoretical and Experimental Study
title_fullStr The Complex Thiol-Palladium Interface: A Theoretical and Experimental Study
title_full_unstemmed The Complex Thiol-Palladium Interface: A Theoretical and Experimental Study
title_sort complex thiol-palladium interface: a theoretical and experimental study
publishDate 2010
url http://sedici.unlp.edu.ar/handle/10915/106656
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