Nanosized anatase crystal

The nanosized anatase crystal is the first model used to study the realistic competitive interaction, competitive for the different crystallographic planes, and competitive among different quinoline molecules adsorbed on Ti02 before the photocatalytic reaction. Using tiiis model and the same methodology, we are now considering the explicit solvent to understand the role of the solvent, the role of the solvation of quinoline near the surface or in competitive adsorption on the surface. We will report the results of this ongoing study in a future paper. 

G. Raffaini, L. Melone, C. Punta, Understanding the topography effects on competitive adsorption on a nanosized anatase crystal a molecular dynamics study, Chem. Commun. 49 (2013) 7567-7570. 

It was found that nanosize Ti02 particles experience an adjustment in the coordination geometry of the Ti atoms near the particle surface from octahedral to square-pyramidal in order to accommodate the large surface curvature [57]. X-ray absorption near edge structure reveals that surface modification with enediol ligands (ascorbate, ortho-hydroxy cyclobutene dione, catechol, etc.) restores the pre-edge features of octahedrally coordinated Ti in the anatase crystal environment. Specific binding of the enediol modifiers to surface comer defects ... 

FIGURE 1 Nanosized ideal crystal of anatase Ti02-... 

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