Facile chemical conversion synthesis and luminescence properties of uniform Ln3+ (Ln = Eu, Tb)-doped NaLuF4 nanowires and LuBO3 microdisks

Uniform NaLuF(4) nanowires and LuBO(3) microdisks have been successfully prepared by a designed chemical conversion method. The lutetium precursor nanowires were first prepared through a simple hydrothermal process. Subsequently, uniform NaLuF(4) nanowires and LuBO(3) microdisks were synthesized at the expense of the precursor by a hydrothermal conversion process. The whole process was carried out in aqueous condition without any organic solvents, surfactant, or catalyst. The conversion processes from precursor to the final products have been investigated in detail. The as-obtained Eu(3+) and Tb(3+)-doped LuBO(3) microdisks and NaLuF(4) nanowires show strong characteristic red and green emissions under ultraviolet excitation or low-voltage electron beam excitation. Moreover, the luminescence colors of the Eu(3+) and Tb(3+) codoped LuBO(3) samples can be tuned from red, orange, yellow, and green-yellow to green by simply adjusting the relative doping concentrations of the activator ions under a single wavelength excitation, which might find potential applications in the fields such as light display systems and optoelectronic devices.

Highly Uniform Gd(OH)(3) and Gd2O3:Eu3+ Nanotubes: Facile Synthesis and Luminescence Properties

Uniform Gd(OH)(3) nanotubes have been prepared via a simple wet-chemical route at ambient pressure and low temperature, without any catalysts, templates, or substrates, in which Gd(NO3)(3) was used as the gallium source and ammonia as the alkali. SEM and TEM images indicate that the as-obtained Gd(OH)3 entirely consists of uniform nanotubes in high yield with diameters of about 40 nm and lengths of 200-300 nm. The temperature-dependent morphological evolution and the formation mechanism of the Gd(OH)(3) nanotubes were investigated in detail. Furthermore, the Gd2O3 and Eu3+-doped Gd2O3 nanotubes, which inherit their parents' morphology, were obtained during a direct annealing process in air. The corresponding Gd2O3:Eu3+ nanotubes exhibit the strong red emission corresponding to the D-5(0)-F-7(2), transition of the Eu3+ ions under UV light or low-voltage electron beam excitation, which might find potential applications in the fields such as light-emitting phosphors, advanced flat panel displays, or biological labeling.

Crystal structures and elastic properties of superhard IrN2 and IrN3 from first principles

First principles calculations were performed to investigate the structural, elastic, and electronic properties of IrN2 for various space groups: cubic Fm-3m and Pa-3, hexagonal P3(2)21, tetragonal P4(2)/mnm, orthorhombic Pmmn, Pnnm, and Pnn2, and monoclinic P2(1)/c. Our calculation indicates that the P2(1)/c phase with arsenopyrite-type structure is energetically more stable than the other phases. It is semiconducting (the remaining phases are metallic) and contains diatomic N-N with the bond distance of 1.414 A. These characters are consistent with the experimental facts that IrN2 is in lower symmetry and nonmetallic. Our conclusion is also in agreement with the recent theoretical studies that the most stable phase of IrN2 is monoclinic P2(1)/c. The calculated bulk modulus of 373 GPa is also the highest among the considered space groups. It matches the recent theoretical values of 357 GPa within 4.3% and of 402 GPa within 7.8%, but smaller than the experimental value of 428 GPa by 14.7%. Chemical bonding and potential displacive phase transitions are discussed for IrN2. For IrN3, cubic skutterudite structure (Im-3) was assumed.

Physico-chemical properties and catalytic behavior of LnSrNiO(4) mixed oxides for NO decomposition

A series of LnSrNiO(4)(A(2)BO(4), Ln = La, Pr, Nd, Sm, Gd) mixed oxides with K2NiF4 structure, in which A-site(Sr) was partly substituted by individual light rare earth element, was prepared. The solid state physico-chemical properties including crystal structure, defect structure, IR spectrum, valence state of H-site ion, nonstoichiometric oxygen, oxygenous species, the properties of oxidation and reduction etc. as well as the catalytic behavior for NO decomposition on these mixed oxides were investigated. The results show that all of these mixed oxide catalysts have high activity for the direct decomposition of NO(at 900 degrees C the conversion of NO is more than 90%). The effect of the substitution of light rare earth elements at A-site on catalytic behavior for NO decomposition was elucidated.

Studies on the energy band structures and chemical bond properties of LaX(X=N, P, As, Sb) crystals

The energy band structures of LaX(X=N, P, As, Sb) crystals have been studied by using LMTO-ASA method. The calculated energy gaps of these crystals are 2. 30 eV for LaN, 2. 05 eV for LaP, 1. 66 eV for LaAs and 1. 34 eV for LaSb. The results are in good agreement with experimental data, At the same time, using these calculated results of energy band structures of these crystals, the chemical bond properties have been analyzed and calculated, The covalency values of these crystals are 26.15% for LaN, 32.54% for LaP, 33.30% for LaAs and 36.49% for LaSb, which agree satisfactorily with the calculated ones by using PV (Phillips-Vechten) theory.

Linear solvation energy relationships regarding sorption and retention properties of hydrophobic organic compounds in soil leaching column chromatography

The capacity factors of a series of hydrophobic organic compounds (HOCs) were measured in soil leaching column chromatography (SLCC) on a soil column, and in reversed-phase liquid chromatography on a C-18 column with different volumetric fractions (phi) of methanol in methanol-water mixtures. A general equation of linear solvation energy relationships, log(XYZ) = XYZ(0) + mV(1)/100 + spi* + bbeta(m) + aalpha(m), was applied to analyze capacity factors (k'), soil organic partition coefficients (K-oc) and octanol-water partition coefficients (P). The analyses exhibited high accuracy. The chief solute factors that control log K-oc, log P, and log k' (on soil and on C-18) are the solute size (V-1/100) and hydrogen-bond basicity (beta(m)). Less important solute factors are the dipolarity/polarizability (pi*) and hydrogen-bond acidity (alpha(m)). Log k' on soil and log K-oc have similar signs in four fitting coefficients (m, s, b and a) and similar ratios (m:s:b:a), while log k' on C-18 and log P have similar signs in coefficients (m, s, b and a) and similar ratios (m:s:b:a). Consequently, log k' values on C-18 have good correlations with log P (r > 0.97), while log k' values on soil have good correlations with log K-oc (r > 0.98). Two K-oc estimation methods were developed, one through solute solvatochromic parameters, and the other through correlations with k' on soil. For HOCs, a linear relationship between logarithmic capacity factor and methanol composition in methanol-water mixtures could also be derived in SLCC. (C) 2002 Elsevier Science Ltd. All rights reserved.