Synthesis of LiFePO4/C doped with Mg2+ by reactive extrusion method

Reactive extrusion method is used to synthesizing LiMg_xFe_1−xPO₄/C, using LiOH⋅H₂O, FeC₂O₄⋅2H₂O, P₂O₅ and nano-MgO as raw materials and glucose as carbon source. Samples are investigated by X-ray diffraction (XRD), scanning electron microscope (SEM), TG–DTA analysis and electrochemical performance test. Results show that amorphous product can be achieved after the reactive extrusion process. The particle size increases with the increase of magnesium content. Appropriately Mg²⁺ doping can reduce the electrode polarization effectively without seriously effect on material structure and morphology. LiMg_0.04Fe_0.96PO₄/C, showing the best electrochemical performances, has an initial discharge capacity of 155, 148, 140 and 137 mA h g⁻¹ at 0.2 C, 0.5 C, 1 C and 2 C rate, respectively. The discharge capacities remain above 99% after 20 cycles.     

Site occupancy determination of Eu/Y doped in Ca2SnO4 phosphor by electron channeling microanalysis

Energy-dispersive X-ray analysis based on electron channeling effects in transmission electron microscopy (TEM) was performed on Ca₂SnO₄ phosphor materials doped with Eu³⁺/Y³⁺ at various concentrations, which showed red photoluminescence associated with the Eu³⁺⁵D₀-⁷F₂ electric dipole transition. The method provided direct information on which host element site impurity elements occupy. The local atomic configurations and chemical bonding states associated with dopant impurities with different ionic radii were also examined by TEM-electron energy-loss spectroscopy (TEM-EELS).     

锂离子电池正极材料LiFe_(1-2x)Mn_xMg_xPO_4/C的电化学性能研究

通过高温固相合成法以MnCO3为锰源、(MgCO3)4·Mg(OH)·5H2O为镁源,葡萄糖为碳源,在氩气气氛下合成二元掺杂Mn、Mg的LiFe0.8Mn0.1Mg0.1PO4/C和LiFePO4/C正极材料,采用X射线衍射(XRD)、扫描电子显微镜(SEM)、红外光谱仪(FT-IR)进行结构表征,通过恒电流充放电实验研究了LiFe0.8Mn0.1Mg0.1PO4/C和LiFePO4/C电化学性能。结果表明,二元掺杂Mn、Mg的LiFe0.8Mn0.1Mg0.1PO4/C呈现橄榄石结构,无杂质产生。与未掺杂的LiFePO4/C相比,掺杂后LiFe0.8Mn0.1Mg0.1PO4/C提高了电导率,0.1C倍率下放电可逆容量为131mAh/g,表现出良好的电化学性能。     

The luminescence of doped and undoped BaLn2(MoO4)4 (Ln = La,Gd)

The luminescence of nominally pure BaLn₂(MoO₄)₄ (Ln = La,Gd) is reported. Below 300 K molybdate emission is observed. The following activators were investigated: Eu³⁺, Tb³⁺, Pb²⁺ and Bi³⁺. The two lanthanide ions show their characteristic emission, the two s² configuration ions give an emission in which the host-lattice group as well as the activator is involved. The luminescence properties of these compositions are discussed and compared with those of related materials.     

The oscillatory characteristics of a 2C60/CNT oscillator system

The authors have studied, using molecular dynamic (MD) simulations, the oscillatory characteristics of a 2C60/CNT oscillator system, in which two C60 fullerenes oscillate inside a single walled carbon nanotube (CNT) in two basic modes, i.e., the symmetric and non-symmetric motions. In the symmetric mode, with each oscillation the two fullerenes move symmetrically from the CNT ends towards the CNT center where they bounce off each other and head back towards the ends. In the non-symmetric mode, the two fullerenes move back and forth inside the CNT crossing the center point of the CNT together with each oscillation. The simulations show that the non-symmetric oscillation mode is stable for the prescribed initial (maximum) velocities up to 300 m/s, while the symmetric oscillation mode however, experiences dynamic instabilities for a prescribed initial (maximum) velocity larger than 250 m/s. The instability takes place as a result of the transfer of energy from the translational to the rotational motion of the fullerenes. This characteristic differentiates 2C60/CNT oscillators from double-walled CNT oscillators. The rotation is primarily caused by the inter-colliding of the two fullerenes, which subjects the fullerenes to large van der Waals repelling forces. These repelling forces are not necessarily aligned perfectly along the CNT axis nor precisely pointing towards the mass centers of the fullerenes. These misalignments cause the fullerenes to rock around the CNT's axis, while their offsets from the mass centers cause the fullerenes to rotate. The rocking motion, being severely confined by the CNT, does not gain much energy itself, but instead, channels energy from translational to rotational motion. The energy channeling is found to be reversed in some very short time intervals, but the rotational motion always gains energies from the translational motion over a time interval that is long enough at the MD time scale. This feature, contrary to our experiences in the macroscopic world, appears to be unique for such nanoscopic mechanical systems.     

Enhanced electrochemical properties of nano-Li3PO4 coated on the LiMn2O4 cathode material for lithium ion battery at 55 °C

The electrochemical performance of LiMn₂O₄ is improved by the surface coating of nano-Li₃PO₄ via ball milling and high-temperature heating. The Li₃PO₄-coated LiMn₂O₄ powders are characterized by X-ray diffraction and high-resolution transmission electron microscopy (HRTEM). At 55 °C, capacity retention of 85% after 100 cycles was obtained for Li/Li₃PO₄-coated LiMn₂O₄ electrode at 1C rate, while that of pristine sample was only 65.6%. The Li/Li₃PO₄-coated LiMn₂O₄ electrode also showed improved rate capability especially at high C rates. At 5C-rates, the delivered capacities of pristine and Li₃PO₄-coated LiMn₂O₄ electrodes were 80.7 mAh/g and 112.4 mAh/g, respectively. The electrochemical impedance spectroscopy (EIS) indicates that the charge transfer resistance for Li/Li₃PO₄-coated LiMn₂O₄ cell was reduced compared to Li/LiMn₂O₄ cell.     

The cation distribution of CoFe2−xAlxO4 as determined by conversion electron mössbauer spectroscopy

The conversion electron Mössbauer spectra of CoFe_2?xAl_xO₄ (x = 0.1, 0.3, 0.6, 0.8 and 1.0) were measured at room temperature. Cation distributions for all samples were derived and compared with the cation distributions as obtained for powdered samples from normal transmission measurements. It is shown that the fraction of Co²⁺ ions at the tetrahedral lattice sites increases linearly with the aluminium content, although a difference between powders and bulk samples is observed.     

The growth characteristics of chemical vapour-deposited β-SiC on a graphite substrate by the SiCl4/C3H8/H2 system

Silicon carbide has been grown at 1300–1800°C by chemical vapour deposition using the SiCl₄/C₃H₈/H₂ system on a graphite substrate. The effect of C₃H₈ flow rate and deposition temperature on the growth characteristics and structure of the deposit has been studied. The experimental results show that the degree of film density is changeable from a dense plate to a porous one with increasing C₃H₈ flow rate. The activation energy increases with increasing C₃H₈ flow rate. The grain size of the polycrystalline β-SiC becomes coarser when the C₃H₈ flow rate and the deposition temperature are increased. The preferred orientation of the deposited SiC layers changes from (111) to (220) on increasing deposition temperature from 1300°C to 1400°C. The deposition mechanism is also discussed.     

One-pot syntheses of Li3V2(PO4)3/C cathode material for lithium ion batteries via ascorbic acid reduction approach

Monoclinic Li₃V₂(PO₄)₃/C composite synthesized by ascorbic acid reduction method is examined as a cathode material for Li-ion batteries. Transmission electron microscopy (TEM) images show that the nano-size particles are obtained. The reversible capacity of Li₃V₂(PO₄)₃/C prepared with LiOH and H₃PO₄ is 141.2 mAh g⁻¹ after 100 cycles at 1C discharge rate between 3 V and 4.8 V, and the retention rates of discharge capacity is 93.4%. Ascorbic acid plays not only as reduction reagent, but also as carbon sources. This strategy shortens the time of solid state reaction and facilitates the procedure of synthesis. Effects of different precursors materials on the performance of the Li₃V₂(PO₄)₃/C are investigated.     

The discharge of a I12TaSe4 cathode for lithium battery

The discharge process was investigated on a lithium battery using $\text{I}{}_{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}\text{TaSe}{}_4$ as cathode. The battery works as primary battery. The potential gradually decreased from 2.1V to 1.8V upto a discharging of $\text{Li}\text{I}{}_{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}\text{TaSe}{}_4\text{≈0.5}$. Then it was almost constant at 1.8V until the discharging of about 2.0. Iodine is partially removed out of $\text{I}{}_{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}\text{TaSe}{}_4$, keeping the host TaSe₄ chain structure as it was in the first step of discharge. The new product has tetragonal crystal lattice having lattice parameters of $\text{a}\text{=9.532}\text{A}\text{?}$ and $\text{c}\text{=25.31}\text{A}\text{?}$, which is twice of c-parameter of $\text{I}{}_{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}\text{TaSe}{}_4$.     

The influence of copper doping on the electrical properties of magnetic semiconducting Cd1−xFexCr2S4 single crystals

The Curie temperature and the dependence of the resistivity on the magnetic flux density and on the temperature of Cu-doped p-type Cd_1?xFe_xCr₂S₄ single crystals have been measured.The Curie temperature is not affected by the doping in spite of the considerably higher electrical conductivity of the doped samples. The dependence of the resistivity on the magnetic flux density (B ≤ 1 Vs/m²) has a behaviour similar to that of n-type CdCr₂Se₄: In, reported earlier /1/. At low iron content, the negative magnetoresistance is enhanced by the copper doping; at high iron content, the magnetoresistance is diminished by the doping. The results are discussed on base of the model of “magnetic impurity states” due to Fe²⁺ states.     

Laser-assisted preparation of C3N4/Fe2O3/Au nanocomposite: a magnetic reusable catalyst for pollutant degradation

Clean Technologies and Environmental Policy - Assorted common contaminants namely organic dyes and nitro compounds are generated by various industries and have caused alarming problems for the...     

Investigation on growth and characterization of a new inorganic NLO material: Zinc sulphate (ZnSO4:7H2O) doped with Magnesium Sulphate (MgSO4:7H2O)

Single crystal of Zinc sulphate doped with Magnesium sulphate, a nonlinear material, was grown from aqua solution by slow evaporation method at room temperature. Good quality single crystals were grown by slow evaporation technique (four weeks) and the crystals subjected to single crystal X-ray diffraction and FT-IR analyses to confirm the formulation of new crystals. The TGA and DTA reveal that the material has good thermal stability. The UV-Vis spectrum confirms that the material has wide optical transparency and the existence of the second harmonic generation has also been ascertained by Kurtz powder method.     

Synthesis and crystal structure of a novel lithium bismuth phosphate, Li2Bi14.67(PO4)6O14

A lithium bismuth phosphate, Li₂Bi_14.67(PO₄)₆O₁₄, has been synthesized for the first time by the solid-state method. The crystal structure was determined by single crystal X-ray diffraction at 150 K. Li₂Bi_14.67(PO₄)₆O₁₄ crystallizes in the monoclinic system C2/c (No. 15), with a = 30.8189(4) Å, b = 5.2691(3) Å, c = 24.5302(3) Å, β = 122.84(2)°, V = 3346.81(1) Å³ and Z = 2. The structure along the b axis consists of layers of [Bi₂O₂] units as the basic building block. These are separated by isolated PO₄ and LiO₄ tetrahedra. The oxygen co-ordination around two of the phosphorus atoms is disordered. Solid-state ⁷Li NMR studies confirm the presence of lithium in the structure. The material shows ionic conductivity of the order of 10⁻⁵ S cm⁻¹ at 600 °C.     

The electronic structure and luminescence properties of Ce3+ doped Sr10[(PO4)5.5(BO4)0.5]BO2 under UV/VUV and X-ray excitation

The apatite related compound Sr₁₀[(PO₄)_5.5(BO₄)_0.5]BO₂ (SrBPO) doped with Ce³⁺ was synthesized via solid state reaction method. Undoped SrBPO shows blue-green emission under ultraviolet (UV) and X-ray excitation due to the defects in the host. When excited by vacuum ultraviolet–ultraviolet (VUV–UV) light or X-ray, Ce³⁺ doped SrBPO shows a broad emission band peaking at 450 nm originating from 5d–4f transition of Ce³⁺ and defects in the host. The phosphor exhibits strong excitation bands in UV range and a weak broad excitation band in VUV region. The site occupation of Ce³⁺ was proposed based on fluorescence decay curves. Electronic structure shows the compound is an indirect semiconductor with a band gap of 3.04 eV. The extremely small density of states of [PO₄]³⁻ or [BO₄]⁵⁻ group near Fermi level or in the conduction band is a possible origin of the weak excitation band in the VUV range. A possible mechanism was proposed to explain the luminescence properties observed.     

Magnetization Process of the Spin-1/2 Two-Leg Ladder Compound (C5H12N)2 CuBr4: The Jordan-Wigner Approach

We have studied the magnetization process in the spin S = 1/2 antiferromagnetic two-leg ladder compound (C₅H₁₂N)₂ CuBr₄ by using the analytical fermionization technique. The magnetization and the susceptibility are calculated as functions of the temperature and the external magnetic field. The magnetization of the system shows various behaviors in different regions of the magnetic field. The field-dependence of the susceptibility is almost symmetric about the average of quantum critical fields in the low-temperature region leading to a complete agreement with the experimental results.     

The growth of ordered ZnAl2O4 nanostructures using AAO as a reactive template

The use of anodic aluminum oxide (AAO) as a reactive template in the fabrication of ordered arrays of spinel ZnAl₂O₄ nanostructures is demonstrated. This involves the growth of monocrystalline Zn nanowires into an AAO template using a pulse dc electrodeposition technique followed by a heat treatment in air at 800 °C. The formation of ZnAl₂O₄ nanotubes in the solid-state reaction is driven by the Kirkendall effect. In addition, the formation of such ZnAl₂O₄ nanostructure arrays requires that the molar ratio of ZnO to Al₂O₃ be less than unity. This corresponds to a ratio of pore radius to half inter-pore separation of 0.63 which serves as a guide to the initial template geometry required for the formation of an array of discrete nanotubes.     

The photooxidative destruction of C.I. Basic Yellow 2 using UV/S2O8 process in a rectangular continuous photoreactor

The photooxidative decolorization of C.I. Basic Yellow 2 (BY2), was investigated using UV radiation in the presence of peroxydisulfate (S₂O₈²⁻) in a rectangular photoreactor at experimental condition. S₂O₈²⁻ and UV-light showed negligible effect when they were used independently. Removal efficiency of BY2 was sensitive to the operational parameters such as initial concentrations of S₂O₈²⁻, BY2, light intensity, flow rate and pH. The conversion ratios of BY2 at the volumetric flow rates of 330, 500 and 650 ml/min were 84%, 79%, 51% in 30 min, respectively. Our results showed that light intensity was a beneficial parameter for dye removal. The results showed that in the presence of S₂O₈²⁻, the photooxidation quantum yield obtained was higher than direct photolysis quantum yield, suggesting that photodecay of BY2 was dominated by photooxidation. The electrical energy per order (E_EO) values for decolorization of BY2 solution was calculated. Results show that applying a desired peroxydisulfate concentration can reduce the E_EO.     

Synthesis and electrochemical properties of Ti doped Li3 − xFe2 − xTix(PO4)3/C cathode materials

Li_3 − xFe_2 − xTi_x(PO₄)₃/C (x = 0-0.4) cathodes designed with Fe doped by Ti was studied. Both Li₃Fe₂(PO₄)₃/C (x = 0) and Li_2.8Fe_1.8Ti_0.2(PO₄)₃/C (x = 0.2) possess two plateau potentials of Fe³⁺/Fe²⁺ couple (around 2.8 V and 2.7 V vs. Li⁺/Li) upon discharge observed from galvanostatic charge/discharge and cyclic voltammetry. Li_2.8Fe_1.8Ti_0.2(PO₄)₃/C has higher reversibility and better capacity retention than that of the undoped Li₃Fe₂(PO₄)₃/C. A much higher specific capacity of 122.3 mAh/g was obtained at C/20 in the first cycle, approaching the theoretical capacity of 128 mAh/g, and a capacity of 100.1 mAh/g was held at C/2 after the 20th cycle.     

The influence of CH4 addition on composition, structure and optical characteristics of SiCN thin films deposited in a CH4/N2/Ar/hexamethyldisilazane microwave plasma

Amorphous silicon carbonitride (a-SiCN) thin films were synthesized in a microwave plasma assisted chemical vapor deposition system using N₂, Ar, CH₄ and hexamethyldisilazane vapor (HMDSN). Composition, morphology and optical constants of the layers have been studied as a function of CH₄ rate in the range 0 to 9%. It was found that films are mainly composed of silicon nitride like compound whatever the CH₄ rate. However, CH₄ addition leads to less hydrogenated and denser films. In addition, a refractive index augmentation from 1.7 to 2.0 and a Tauc gap decrease from 5.2 eV to 4.8 eV is measured with CH₄ rate increase. It is believed that the refractive index augmentation is due to higher thin film density whereas hydrogen bonds decrease is assumed to contribute to the band gap narrowing. Besides, CH₄ addition to the gaseous mixture increases thin film oxidation resistance. These results show the ability of varying composition, structure and optical constants of a-SiCN films by modifying CH₄ rate in a N₂/Ar/HMDSN plasma.