Structure Of Habit-modifying Trivalent Transition Metal Cations (mn 3+, Cr 3+) In Nearly Perfect Single Crystals Of Potassium Dihydrogen Phosphate As Examined By X-ray Standing Waves, X-ray Absorption Spectroscopy, And Molecular Modeling

dc.creatorLai X.
dc.creatorRoberts K.J.
dc.creatorBedzyk M.J.
dc.creatorLyman P.F.
dc.creatorCardoso L.P.
dc.creatorSasaki J.M.
dc.date2005
dc.date2015-06-26T14:07:50Z
dc.date2015-11-26T15:42:08Z
dc.date2015-06-26T14:07:50Z
dc.date2015-11-26T15:42:08Z
dc.date.accessioned2018-03-28T22:50:42Z
dc.date.available2018-03-28T22:50:42Z
dc.identifier
dc.identifierChemistry Of Materials. , v. 17, n. 16, p. 4053 - 4061, 2005.
dc.identifier8974756
dc.identifier10.1021/cm0478881
dc.identifierhttp://www.scopus.com/inward/record.url?eid=2-s2.0-23844463548&partnerID=40&md5=aa69e2a9b90d5e4b4c49f2c6b97d5adc
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/93443
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/93443
dc.identifier2-s2.0-23844463548
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1264783
dc.descriptionThe local atomic structure of habit-modifying transition metal cations within the crystal lattice of potassium dihydrogen phosphate (KDP) is investigated using X-ray absorption spectroscopy (XAS) and X-ray standing wave (XSW) spectroscopy, together with molecular modeling. XAS reveals the transition metal cations to be structurally incorporated into the crystal lattice as an ionic complex that is octahedrally coordinated to two phosphate groups and four water molecules. The position of transition metal cation, as determined by XSW, is consistent with its location at an interstitial lattice site, with a coherent position 0.66 with respect to the {200} crystal lattice planes. The structural model suggested that the transition metal complex mimics the surface structure of KDP prismatic {100} face, hence facilitating its adsorption on this face. Charge compensation associated with the impurity incorporation during crystal growth is effected via the hydrated impurity complex displacing one bonding proton that binds two phosphate groups together with two potassium ions within the crystal structure to maintain the system charge balance. The resulting model is consistent with the XAS and XSW results as well as earlier work. © 2005 American Chemical Society.
dc.description17
dc.description16
dc.description4053
dc.description4061
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dc.languageen
dc.publisher
dc.relationChemistry of Materials
dc.rightsfechado
dc.sourceScopus
dc.titleStructure Of Habit-modifying Trivalent Transition Metal Cations (mn 3+, Cr 3+) In Nearly Perfect Single Crystals Of Potassium Dihydrogen Phosphate As Examined By X-ray Standing Waves, X-ray Absorption Spectroscopy, And Molecular Modeling
dc.typeArtículos de revistas


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