THE ADSORPTION AND BONDING OFH2SON THEα-FeOOH(110)SURFACE

S. Simonetti, D. Damiani, A. Juan and G. Brizuela
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S. Simonetti: Departamento de Mecánica, UTN-FRBB, 11 de Abril 461, 8000 Bahía Blanca, Argentina;
D. Damiani: Departamento de Ing. Química, PLAPIQUI-UNS, CONICET, Argentina
A. Juan: Departamento de Física, UNS, Av. Alem 1253, 8000 Bahía Blanca, Argentina
G. Brizuela: Departamento de Física, UNS, Av. Alem 1253, 8000 Bahía Blanca, Argentina

Surface Review and Letters (SRL), 2007, vol. 14, issue 02, 209-217

Abstract: The electronic structure ofH2Sadsorbed on the goethite (110) surface has been studied by ASED-MO cluster calculations. We have studied both the perpendicular and the parallelH2Smolecular adsorption on theFeOOH(110)surface. We have analyzed the adsorption configuration energies including rotation. The parallel species 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.

Keywords: Odorization; natural gas; goethite; dehydrogen sulfide; sulfur; adsorption (search for similar items in EconPapers)
Date: 2007
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DOI: 10.1142/S0218625X0700927X

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