SIMONETTI, S.; DAMIANI, D.; BRIZUELA, G.; JUAN, A. - In: Surface Review and Letters (SRL) 13 (2006) 04, pp. 387-395
The electronic structure of S adsorption on goethite (110) surface has been studied by ASED-MO cluster calculations. For S location, the most exposed surface atoms of goethite surface were selected. The calculations show that the surface offers several places for S adsorption. The most...