Structural and luminescence characteristics of CuAlxIn1−xSe2 (0 < x ≤ 0.30) chalcopyrite solid solutions

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Novel titanate nanotubes-cyanocobalamin materials: Synthesis and enhanced photocatalytic properties for pollutants removal

New hybrid nanomaterials, with improved photocatalytic performance in pollutants removal, were obtained through the modification of titanate nanotubes (TNT) with a cobalt porphyrin, the cyanocobalamin, also knowing as vitamin B12 (B12). The nanocrystalline TNT were produced by hydrothermal treatment and after treated with cobalamin to produce B12-TNT materials. The characterization of the new hybrid material was performed by XRD, FTIR, TEM-EDS, DRS, XPS and ICP. The results show that the immobilization of the cobalt containing specie is dependent on the point of zero charge of the TNT and no modifications on the structure and morphology were observed. No significant changes in the optical band gap were observed after B12 incorporation, but an increasing in the visible light absorption, which arises from charge transfer and d–d transitions of the cobalt, was visualized. The samples photocatalytic performance was studied for the hydroxyl radical production and the highest catalytic ability was achieved by the B12-HTNT sample. The catalytic ability of these new hybrid nanomaterials for two model pollutants photodegradation, phenol and rhodamine B (RhB) was investigated. For both pollutants, the best results were achieved using B12-HTNT with a removal of 94% of a 10 ppm RhB and 87% of a 20 ppm phenol solution in 90 min of irradiation (150 mL, 0.2 g catalyst/L).     

Color centers in irradiated MgF2

Abstract

Color centers in rutile-structured MgF₂ single crystals irradiated at 20K/360K by reactor neutrons are investigated spectroscopically at LNT. Four different types of the F-F vacancy bond in MgF₂ are possibly identified to the observed absorption bands as due to the F₂ centers; instead of previous assignments, the 300nm band to the F₂(D_2h), the 325nm band to the F₂(C₁), the 355nm band to the F₂(C_2v), and the 400nm band to the F₂(C_2h) centers.     

Influence of Cu2+ dopant in optical property of CdTe quantum dots and photoelectrochemical performance of CdTe:Cu2+/TiO2 nanotube arrays

A novel one-step synthesis process was used to prepare CdTe:Cu²⁺/TiO₂ nanotube arrays (TNTAs). X-ray powder diffraction and high-resolution transmission electron microscopy analyses confirmed that the obtained CdTe:Cu²⁺ quantum dots (QDs) possess cubic structures, which are approximately spherical, and a small particle size (2.95 nm). The photoluminescent and UV–visible absorption spectra of CdTe:Cu²⁺ QDs also display an obvious redshift, which was attributed to the replacement of Cd²⁺ with Cu²⁺. Compared with that of the TNTAs and CdTe/TNTAs, the photoelectric conversion efficiency of CdTe:5% Cu²⁺/TNTAs increased by 785.7% and 103.3%, respectively. The incident photo-to-current conversion efficiency of CdTe:5% Cu²⁺/TNTAs was 50.6%, which indicated the potential use of QDs in photochemical solar cells.     

Ozone‐Induced Band Bending on Metal‐Oxide Surfaces Studied under Environmental Conditions

Ozone adsorption and decomposition on metal oxides is of wide interest in technology and in atmospheric chemistry. Here, ozone‐adsorption‐induced band bending is observed on Ti‐ and Fe‐oxide model surfaces under dry and humid conditions. Photoelectron spectroscopic studies indicate the effect of charge transfer to O₃, which limits the surface coverage of the precursor to decomposition reactions. This is also consistent with the negative pressure dependence observed in previous studies. These results contribute to our fundamental understanding of ozone adsorption and decomposition mechanisms on metal oxides of environmental and technological relevance.     

Investigation on the dissolution of Mn ions from LiMn2O4 cathode in the application of lithium ion batteries: First principle molecular orbital method

The dissolution phenomenon of Mn ions in LiMn₂O₄ (LMO) cathode material for lithium ion batteries (LIBs) was investigated by a first principle calculation using the discrete variational Xα molecular orbital method. It was found that the oxidation number of Mn ions easily increases at high temperatures due to the empty levels of Mn 3d orbitals located in the vicinity of the Fermi energy level of LMO crystal. The changes of density of states (DOS) and Mn‐O bonding properties with doping were examined. Analysis of DOS showed that the substitution of elements with a smaller oxidation number than Mn was found effective in keeping Mn ions at higher oxidation states. From the calculation of bonding properties, the dissolution of Mn was found to be strongly correlated with the covalent nature of Mn‐O bond. Based on the results, we concluded that increasing the covalent character of Mn‐O bond is effective to minimize the dissolution of Mn ions, along with suppressing the formation of Jahn‐Teller‐active Mn³⁺ by inducing Mn ions at high oxidation state with proper selection of doping elements. © 2012 Wiley Periodicals, Inc.     

The band alignment at CdS/Cu2ZnSnSe4 heterojunction interface

Band alignment at CdS/Cu₂ZnSnSe₄ heterojunction interface is studied by X‐ray photoemission spectroscopy. The Cu₂ZnSnSe₄ thin films are prepared by selenization of electrodeposited Cu‐Zn‐Sn precursors. CdS overlayers with different thickness are sequentially grown on the Cu₂ZnSnSe₄ substrate by pulsed laser deposition process. Photoemission spectra are obtained before and after each growth to study the conduction and valence band offsets at the heterojunction interface. The determined conduction band offset of 0.34 eV indicates a spike‐like ‘type I’ band alignment at CdS/Cu₂ZnSnSe₄ interface. The spike will avoid interface recombination, and it is low enough that electron could transfer from the Cu₂ZnSnSe₄ layer to the buffer layer which is suitable for solar cell's fabrication. Copyright © 2012 John Wiley & Sons, Ltd.