Possible origin of ferromagnetism in undoped anatase TiO2

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.

Design of Narrow-Gap TiO2: A Passivated Codoping Approach for Enhanced Photoelectrochemical Activity

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.

Quantum Confinement and Electronic Properties of Rutile TiO2 Nanowires

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.

Sterilization system for air purifier by combining ultraviolet light emitting diodes with TiO2

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.

Optical properties of highly ordered AlN nanowire arrays grown on sapphire substrate

Highly ordered AlN nanowire arrays were synthesized via a simple physical vapor deposition method on sapphire substrate. The nanowires have an extremely sharp tip < 10 nm, with the average length around 3 mu m. Raman spectroscopy analysis on the AlN nanowire arrays revealed that the lifetime of the phonons is shorter than that in bulk AlN. The transmission spectra of the AlN nanowires showed a blueshift similar to 0.27 eV at the absorption edge with that of the bulk AlN, which is closely related to the small size of the nanowires. (c) 2005 American Institute of Physics.

Structural, photoluminescence, and field emission properties of vertically well-aligned ZnO nanorod arrays

The self-assembled growth of vertically well-aligned ZnO nanorod arrays with uniform length and diameter on Si substrate has been demonstrated via thermal evaporation and vapor-phase transport. The structural, photoluminescence (PL), and field emission properties of the as-prepared nanorod arrays were investigated. The PL spectrum at 10 K shows a strong and sharp near-band gap emission (NBE) peak ( full width at half-maximum (FWHM) = 4.7 meV) and a weak neglectable deep-level emission (DL) peak (I-NBE/I-DL= 220), which implies its good crystallinity and high optical quality. The room-temperature NBE peak was deduced to the composition of free exciton and its first-order replicas emissions by temperature-dependent PL spectra. The field emission measurements indicate that, with a vacuum gap of 400 Am, the turn-on field and threshold field is as low as 2.3 and 4.2 V/mu m. The field enhancement factor beta and vacuum gap d follows a universal equation.

Enhanced infrared absorption of spatially ordered quantum dot arrays

We have investigated the intersubband absorption for spatially ordered and non-ordered quantum dots (QDs). It is found that the intersubband absorption of spatially ordered QDs is much stronger than that of non-ordered QDs. The enhanced absorption is attributed to the improved size uniformity concurrent with the spatial ordering for the growth condition employed. For the FTIR measurement under normal incidence geometry, using a undoped sample as reference can remove the interference effect due to multiple reflections. (c) 2006 Elsevier B.V. All rights reserved.

Self-organized hexagonal ordering of quantum dot arrays

We report a structure of (In, Ga)As/GaAs quantum dots which are vertically correlated and laterally aligned in a hexagonal way thus forming three-dimensionally ordered arrays. The growth pathway is based on a mechanism of self-assembly by strain-mediated multilayer vertical stacking on a planar GaAs(100) substrate, rather than molecular-beam epitaxy on a prepatterned substrate. The strain energy of lateral island-island interaction is minimum for the arrangement of hexagonal ordering. However, realization of hexagonal ordering not only depends on a complicated trade-off between lateral and vertical island-island interaction but is also related to a delicate and narrow growth kinetics window.

Molecular beam epitaxy InAs dot arrays on InGaAs/GaAs

Periodical alignment of the InAs dots along the < 100 > and < 110 > directions was observed on an elastically relaxed InGaAs buffer layer grown at 500 and 450 degrees C, respectively, on the vicinal GaAs(001) substrate. Due to alignment along these directions, the InAs dots were arranged into a quasi-two-dimensional hexagonal lattice. Such a periodical arrangement of InAs dots may be explained in terms of modulation in strain as well as composition along [110] as observed by using cross-sectional transmission electron microscopy.

Synthesis and photoluminescence properties of vertically aligned ZnO nanorod-nanowall junction arrays on a ZnO-coated silicon substrate

Arrays of vertically well-aligned ZnO nanorod-nanowall junctions have been synthesized on an undoped ZnO-coated silicon substrate by a carbothermal reduction and vapour phase transport method. X-ray diffraction (XRD) and scanning electron microscopy (SEM) show that the nanostructures are well-oriented with the c-axis perpendicular to the substrate. The room temperature photoluminescence (PL) spectrum of the as-prepared ZnO nanostructure reveals a dominant near-band-edge (NBE) emission peak and a weak deep level (DL) emission, which demonstrates its good optical properties. Temperature-dependent PL spectra show that both the intensity of NBE and DL emissions increased with decreasing temperature. The NBE emission at 3.27 eV is identified to originate from the radiative free exciton recombination. The possible growth mechanism of ZnO nanorod-nanowall junctions is also proposed.

Atomic hydrogen induced step bunching and fabrication of quantum wire arrays on GaAs (311)A substrate by molecular beam epitaxy

Atomic hydrogen assisted molecular beam epitaxy (MBE) is a novel type of epitaxial growth of nanostructures. The GaAs (311)A surface naturally forms one-dimensional step arrays by step bunching along the direction of (-233) and the space period is around 40nm. The step arrays extend over several mum without displacement. The InGaAs quantum wire arrays are grown on the step arrays as the basis. Our results may prompt further development of more uniform quantum wire and quantum dot arrays.

Symmetry in the diagonal self-assembled InAs quantum wire arrays on InP substrate

Diagonal self-assembled InAs quantum wire (QWR) arrays with the stacked InAs/In0.52Al0.48As structure are grown on InP substrates, which are (001)-oriented and misoriented by 6degrees towards the [100] direction. Both the molecular beam epitaxy (MBE) and migration enhanced epitaxy (MEE) techniques are employed. Transmission electron microscopy reveals that whether a diagonal InAs QWR array of the stacked InAs/InAlAs is symmetrical about the growth direction or not depends on the growth method as well as substrate orientation. Asymmetry in the diagonal MEE-grown InAs QWR array can be ascribed to the influence of surface reconstruction on upward migration of adatoms during the self-assembly of the InAs quantum wires.

Origin of the vertical-anticorrelation arrays of InAs/InAlAs nanowires with a fixed layer-ordering orientation

InAs/In0.52Al0.48As nanowire multilayer arrays were grown on (001) InP substrate by molecular-beam epitaxy. The structural property of the arrays was investigated by transmission electron microscopy. The results clearly showed the formation of InAs nanowires, evolution of InAs/InAlAs interface, and composition and thickness modulations in the InAlAs spacer layer. A fixed spatial ordering of InAs/InAlAs nanowires was revealed for all the samples. Regardless of the change in InAlAs spacer thickness of different samples, (i) the nanowires of one InAs layer are positioned above the nanowire spacing in the previous InAs layer and (ii) the layer-ordering orientation angle of nanowires is fixed. The results were explained from the viewpoint of the growth kinetics. The effect of InAlAs spacers is suggested to play an important role on the spatial ordering of the nanowire arrays. (C) 2002 American Institute of Physics.

Analysis of leakage current in GaAs micro-solar cell arrays

The output characteristics of micro-solar cell arrays are analyzed on the basis of a modified model in which the shunt resistance between cell lines results in current leakage. The modification mainly consists of adding a shunt resistor network to the traditional model. The obtained results agree well with the reported experimental results. The calculation results demonstrate that leakage current in substrate affects seriously the performance of GaAs micro- solar cell arrays. The performance of arrays can be improved by reducing the number of cells per line. In addition, at a certain level of integration, an appropriate space occupancy rate of the single cell is recommended for ensuring high open circuit voltages, and it is more appropriate to set the rates at 80%-90% through the calculation.

Valence band offset of MgO/TiO2 (rutile) heterojunction measured by X-ray photoelectron spectroscopy

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.