Iridium-basedmaterials are among themost active and stable electrocatalysts for the oxygen evolution reaction. Amorphous iridium oxide structures are found to bemore active than their crystalline counterparts. Herein, we combine synchrotron-based X-ray photoemission and absorption spectroscopies with theoretical calculations to investigate the electronic structure of Ir metal, rutile-type IrO2,...

We explore how the atomic-scale structural and chemical properties of an oxide-supported monolayer (ML) catalyst are related to catalytic behavior. This case study is for vanadium oxide deposited on a rutile α-TiO2(110) single-crystal surface by atomic layer deposition (ALD) undergoing a redox reaction cycle in the oxidative dehydrogenation (ODH) of cyclohexane. For measurements that require a ...

We studied the structural behavior and electrical transport properties of epitaxial a-SnO thin films grown on the (1̄012) a-Al2O3 ~sapphire! substrate. Hall effect measurements revealed that the epitaxial as-deposited SnO film is a p-type semiconductor. In situ x-ray diffraction studies show that the a-SnO phase is metastable and will transform into SnO2 with the rutile type structure when annea...

sn02 nanowires with diameters of 30 — 200 nm have been synthesized by using carbothermalprocess via a thick film of tin dioxide and carbon powder precursor. the nanowires werecharacterized by x-ray power diffraction (xrd), scanning electron microscopy (sem),transmission electron microscopy (tem) and selected area electron diffraction (saed).the gas sensing characteristic of nanowires toward eth...

We present cluster-dynamic mean field theory DMFT continuous time quantum Monte Carlo method calculations based on a downfolded tight-binding model in order to study the electronic structure of vanadium dioxide VO2 both in the low-temperature M1 and high-temperature rutile phases. Motivated by the recent efforts directed toward tuning the physical properties of VO2 by depositing films on differ...

Chromium-doped TiO2 pigments were synthesized via a solid-state reaction method and studied with X-ray diffraction, SEM, XPS, and UV-VIS-NIR reflectance spectroscopy. The incorporation of Cr3+ accelerates the transition from the anatase phase to the rutile phase and compresses the crystal lattice. Moreover, the particle morphology, energy gap, and reflectance spectrum of Cr-doped TiO2 pigments ...

Samples of porous Ti metal were subjected to different acid and heat treatments. Ectopic bone formation on specimens embedded in dog muscle was compared with the surface characteristics of the specimen. Treatment of the specimens by H2SO4/HCl and heating at 600 °C produced micrometer-scale roughness with surface layers composed of rutile phase of titanium dioxide. The acid- and heat-treated spe...

We present hybrid DFT calculations for large TiO2 cluster models in the gas phase and in solution. Two clusters are investigated, one derived from the anatase bulk structure and the second from rutile. The surfaces are passivated with hydroxyl and water ligands, and continuum solvation is used to model bulk solvent in a subset of calculations. The geometrically optimized bonding patterns, struc...

We propose a scheme to enhance near-UV band absorption of a rutile TiO(2) nanoparticle by placing Au nanoparticles in its neighborhood. The discrete-dipole approximation method was employed to calculate the absorption spectrum of pure rutile TiO(2) and that of TiO(2) mixed with Au nanoparticles. The results indicate that pure rutile TiO(2) has its maximum absorption located in the deep-UV band....

The symmetric chain Pt-TiO -Pt was studied by means of complex impedance spectroscopy at T = 1273 K for pure and chromium-doped rutile in the partial pressure of oxygen range from 10 to 1 atm. The isothermal variations of electronic conductivity of rutile doped with 1 to 5 % atoms Cr as a function of P were interpreted in terms of point defects by the model of mixed-valence chromium. The compar...