354 resultados para Mesoporous Tio2


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SiO2-TiO2 sol-gel films are deposited on SiO2/Si by dip-coating technique. The SiO2-TiO2 strips are fabricated by laser direct writing using all ytterbium fiber laser and followed by chemical etching. Surface structures, morphologies and roughness of the films and strips are characterized. The experimental results demonstrate that the SiO2-TiO2 sol-gel film is loose in Structure and a shrinkage concave groove forms if the film is irradiated by laser beam. The surface roughness of both non-irradiated and laser irradiated areas increases with the chemical etching time. But the roughness of laser irradiated area increases more than that of non-irradiated area under the same etching time. After being etched for 28 s, the surface roughness value of the laser irradiated area increases from 0.3 nm to 3.1 nm.

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Using first-principles electronic structure calculations we find that the titanium vacancy and divacancy may be responsible for the unexpected ferromagnetism in undoped anatase TiO2. An isolated titanium vacancy produces a magnetic moment of 3.5 mu(B), and an isolated titanium divacancy produces a magnetic moment of 2.0 mu(B). The origin of the collective magnetic moments is the holes introduced by the titanium vacancy or divacancy in the narrow nonbonding oxygen 2p(pi) band. At the center of the divacancy, an O-2 dimer forms during the relaxation, which lowers the total energy of the system and leads to the decrease in the total magnetic moment due to a hole compensation mechanism. For both the two native defects, the ferromagnetic state is more stable than the antiferromagnetic state.

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To improve the photoelectrochemical activity of TiO2 for hydrogen production through water splitting, the band edges of TiO2 should be tailored to match with visible light absorption and the hydrogen or oxygen production levels. By analyzing the band structure of TiO2 and the chemical potentials of the dopants, we propose that the band edges of TiO2 can be modified by passivated codopants such as (Mo+C) to shift the valence band edge up significantly, while leaving the conduction band edge almost unchanged, thus satisfying the stringent requirements. The design principle for the band-edge modification should be applicable to other wide-band-gap semiconductors.

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The quantum confinement effect, electronic properties, and optical properties of TiO2 nanowires in rutile structure are investigated via first-principles calculations. We calculate the size- and shape-dependent band gap of the nanowires and fit the results with the function E-g = E-g(bulk) + beta/d(alpha). We find that the quantum confinement effect becomes significant for d < 25 angstrom, and a notable anisotropy exists that arises from the anisotropy of the effective masses. We also evaluate the imaginary part of the frequency-dependent dielectric function [epsilon(2)(omega)] within the electric-dipole approximation, for both the polarization parallel [epsilon(parallel to)(2)(omega)] and the perpendicular [epsilon 1/2(omega)] to the axial (c) direction. The band structure of the nanowires is calculated, with which the fine structure of epsilon(parallel to)(2)(omega) has been analyzed.

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BACKGROUND: Ultraviolet light emitting diodes (UV LEDs) were used as a light source in TiO2 photocatalysis because of their many advantages, such as, long life, safety, low pollution, etc. In this experiment, a light source panel was successfully fabricated with UV LEDs, the light intensities of which were relatively uniform.

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CdS clusters are formed in the pores of a mesoporous zeolite in which the size of the clusters may be adjusted. The size of the clusters increases as the CdS loading is increased. X-ray diffraction investigation shows that the lattice constants of the clusters contract upon increasing size. This contraction is attributed to an increase of the static pressure exercised by the zeolite framework as the clusters grow bigger. Both the excitonic and trapped emission bands are detected and become more intensive upon decreasing size. Three absorption bands appear in the photoluminescence excitation (PLE) spectra and they shift to the blue as cluster size decreases. Based on the effective-mass approximation, the three bands are assigned to the 1S-1S, 1S-1P and 1S-1D transitions, respectively. The size-dependence of the PLE spectra can also be explained. (C) 1997 Elsevier Science Ltd.

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The valence band offset (VBO) of MgO/TiO2 (rutile) heterojunction has been directly measured by Xray photoelectron spectroscopy. The VBO of the heterojunction is determined to be 1.6 +/- 0.3 eV and the conduction band offset (CBO) is deduced to be 3.2 +/- 0.3 eV, indicating that the heterojunction exhibits a type-I band alignment. These large values are sufficient for MgO to act as tunneling barriers in TiO2 based devices. The accurate determination of the valence and conduction band offsets is important for use of MgO as a buffer layer in TiO2 based field-effect transistors and dye-sensitized solar cells.

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