Estudo da adsorção de hidrogênio e sulfeto na superfície de paládio: aspectos experimentais (eletroquímica) e teóricos (ab initio e Teoria do Funcional da Densidade) Experimental (electrochemistry) and theoretical (ab initio and Density Functional Theory) studies of hydrogen and sulfide adsorption on palladium (100) surface

Estudo da adsorção de hidrogênio e sulfeto na superfície de paládio: aspectos experimentais (eletroquímica) e teóricos (ab initio e Teoria do Funcional da Densidade) Experimental (electrochemistry) and theoretical (ab initio and Density Functional Theory) studies of hydrogen and sulfide adsorption on palladium (100) surface

<abstract language="eng">The adsorption of H and S2- species on Pd (100) has been studied with ab initio, density-functional calculations and electrochemical methods. A cluster of five Pd atoms with a frozen geometry described the surface. The computational calculations were performe...

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Bibliographic Details
Main Authors: Antônio Carlos D. Ângelo, Aguinaldo R. de Souza, Nelson H. Morgon, Júlio R. Sambrano
Format: Article
Language:English
Published: Sociedade Brasileira de Química 2001-08-01
Series:Química Nova
Subjects:
ab initio
DFT
cyclic voltammetry
adsorption
hydrogen
sulfide
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422001000400008

Internet

http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422001000400008

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