The adsorptin and bonding of H2S on the alpha FeOOH (110) surface

SUSANA SIMONETTI; DANIEL E. DAMIANI; ALFREDO JUAN; GRACIELA P. BRIZUELA

SURFACE REVIEW AND LETTERS

World Scientific Publishing Co

Lugar: Singapur; Año: 2007 vol. 14 p. 209 - 217

0218-625X

  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. 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. 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. 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. 2S 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. 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. 2S 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.