The photochemistry of oriented rutile surfaces has been examined using the photoreduction of Ag+ to Ag metal from an aqueous solution onto the TiO2 surfaces. The photochemical reaction rates and quantum yields of rutile films were found to be a function of the orientation of the rutile surface. The (100) and (110) rutile orientations have lower photoreduction rates than the (101), (111), and (0...

This study investigates the adsorption and reactions of boron trichloride and its fragments (BClx) on the TiO2 anatase (101) and rutile (110) surfaces by first-principles calculations. The results show that the possible absorbates on the TiO2 anatase and rutile surfaces are very similar. The single- and double-site adsorption configurations are found for both anatase and rutile surfaces. The pa...

The role of nanocrystalline materials in addressing the current challenges in energy storage has attracted large attention. Besides nanostructured B-type TiO 2 [1], being the fifth polymorph of titanium dioxide, Li intercalated nanocrystalline rutile is considered to act as a potential anode in inherently safe secondary Li ion batteries. In contrast to its coarse-grained counterpart, which is e...

The effect of silver on the phase transition and microstructure of titanium oxide films grown by pulsed cathodic arc had been investigated by XRD, SEM and Raman spectroscopy. Following successive thermal annealing up to 1000 °C, microstructural analysis of annealed Ag-TiO2 films reveals that the incorporation of Ag nanoparticles strongly affects the transition temperature from the initial metas...

In numerous applications involving fluid flow through a porous structure, performance improvements, such as better flow characteristics and increased fluid-solid contact, are obtained when multiple length scales of porosity are present in the porous medium. To this end, we have developed a route to hierarchically porous rutile titania that obviates the need for preformed or preassembled structu...

The detailed solvation structure at the (110) surface of rutile (alpha-TiO2) in contact with bulk liquid water has been obtained primarily from experimentally verified classical molecular dynamics (CMD) simulations of the ab initio-optimized surface in contact with SPC/E water. The results are used to explicitly quantify H-bonding interactions, which are then used within the refined MUSIC model...

A new study on the pressure-induced phase transitions of TiO(2) has been performed using all-electron density-functional theory based computations with the projector augmented wave and the linearized augmented plane wave methods considering five experimentally observed structures. The static results yield a picture that is consistent with experiments, i.e., phase transitions with pressure are p...

The rutile (110)–aqueous solution interface structure was measured in deionized water (DIW) and 1 molal (m) RbCl + RbOH solution (pH 12) at 25 C with the X-ray crystal truncation rod method. The rutile surface in both solutions consists of a stoichiometric (1 · 1) surface unit mesh with the surface terminated by bridging oxygen (BO) and terminal oxygen (TO) sites, with a mixture of water molecu...

The importance of substrate chemistry and structure on supported phospholipid bilayer design and functionality is only recently being recognized. Our goal is to investigate systematically the substrate-dependence of phospholipid adsorption with an emphasis on oxide surface chemistry and to determine the dominant controlling forces. We obtained bulk adsorption isotherms at 55 degrees C for dipal...

The influence of the vanadium load and calcination temperature on the structural characteristics of the V2O5/TiO2 system was studied by X-ray diffraction and X-ray absorption spectroscopy (XAS) techniques. Samples of the V2O5/TiO2 system were prepared by the sol–gel method under acid conditions and calcined at different temperatures. The rutile phase was found to predominate in pure TiO2 calcin...