INVESTIGADORES
JUAN Alfredo
artículos
Título:
THE ADSORPTION AND BONDING OF H2S ON THE á-FeOOH(110) SURFACE
Autor/es:
S. SIMONETTI; D. DAMIANI; A. JUAN; G. BRIZUELA
Revista:
SURFACE REVIEW AND LETTERS
Editorial:
World Scientific
Referencias:
Lugar: Singapore; Año: 2007 vol. 24 p. 209 - 217
ISSN:
0218-625X
Resumen:
The electronic structure of H2S adsorbed on the goethite (110) surface has been studied by ASED-MO cluster calculations. We have studied both the perpendicular and the parallel H2S molecular adsorption on the FeOOH(110) surface. We have analyzed the adsorption configuration energies including rotation. The parallel specie does not rotate during adsorption and corresponds to the most stable configuration. We have also studied the bonding contributions for the minimum energy configuration and the density of states plots.
