title: Surface complexation studied via combined grazing-incidence EXAFS and surface diffraction: arsenate on hematite (0001) and (10-12).
abstract: X-ray diffraction [crystal-truncation-rod (CTR)] studies of the surface structure of moisture-equilibrated hematite reveal sites for complexation not present on the bulk oxygen-terminated surface, and impose constraints on the types of inner-sphere sorption topologies. We have used this improved model of the hematite surface to analyze grazing-incidence EXAFS results for arsenate sorption on the c (0001) and r (10-12) surfaces measured in two electric vector polarizations. This work shows that the reconfiguration of the surface under moist conditions is responsible for an increased adsorption density of arsenate complexes on the (0001) surface relative to predicted ideal termination, and an abundance of "edge-sharing" bidentate complexes on both studied surfaces. We consider possible limitations on combining the methods due to differing surface sensitivities, and discuss further analysis possibilities using both methods.
authors.affiliation: Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA. gawaychunas@lbl.gov
authors.forename: G
authors.initials: G
authors.lastname: Waychunas
authors.forename: T
authors.initials: T
authors.lastname: Trainor
authors.forename: P
authors.initials: P
authors.lastname: Eng
authors.forename: J
authors.initials: J
authors.lastname: Catalano
authors.forename: G
authors.initials: G
authors.lastname: Brown
authors.forename: J
authors.initials: J
authors.lastname: Davis
authors.forename: J
authors.initials: J
authors.lastname: Rogers
authors.forename: J
authors.initials: J
authors.lastname: Bargar
mesh_terms: D000327:Adsorption; D001149:Arsenates / Q000032:analysis / Q000737:chemistry*; D015374:Biosensing Techniques; D005290:Ferric Compounds / Q000737:chemistry*; D015394:Molecular Structure; D014961:X-Ray Diffraction / Q000379:methods
chemical_list: D001149:Arsenates; D005290:Ferric Compounds; C000499:ferric oxide