Effects of Co^(2+)Doping on the Crystal Structure and Electrochemical Performance of LiFePO_4

Co2＋-doped LiFePO4/C composite material was prepared by solid-state synthesis method using Fe2O3,Li2CO3 and NH4H2PO4 as the starting materials.The structures and elec-trochemical performance of samples were studied by XRD,SEM and constant current charge-discharge method.The results showed that the Co2＋ doping did not change the crystal structure of LiFePO4.The unit cell volume changed with the increase of Co2＋,and reached the maximum at x = 0.04.The LiFe0.96Co0.04PO4/C sample proved the best electrochemical properties.Its initial discharge capacity was 138.5 mA·h /g at 1 C rate.After 30 cycles,the capacity remained 127.7 mA·h /g,and the capacity retention rate was 92.2%.

Quantitative Structure Activity Relationship Studies of Benzoxazinone Derivative Antithrombotic Drug Using New Three-dimensional Structure Descriptors

A novel three-dimensional holographic vector of atomic interaction field（3D-HoVAIF） was used to describe the chemical structures of 23 benzoxazinone derivatives as antithrombotic drugs.Here a quantitative structure activity relationship（QSAR） model was built by partial least-squares（PLS） regression.The estimation stability and prediction ability of the model were strictly analyzed by both internal and external validations.The correlation coefficients of established PLS model,leave-one-out（LOO） cross-validation,and predicted values versus experimental ones of external samples were R2=0.899,RCV2=0.854 and Qext2=0.868,respectively.These values indicated that the built PLS model had both favorable estimation stability and good prediction capabilities.Furthermore,the satisfactory results showed that 3D-HoVAIF could preferably express the information related to the biological activity of benzoxazinone derivatives.

Preparation of a SiC/Cristobalite-AlPO_4 Multi-layer Protective Coating on Carbon/Carbon Composites and Resultant Oxidation Kinetics and Mechanism

In order to improve the oxidation resistance of carbon/carbon （C/C） composites,a SiC/C-AlPO4 multi-layer coating was fabricated on the C/C composites by a simple and low-cost method.The internal SiC bonding layer was prepared by a two-step pack cementation process and the external C-AlPO4 coating was deposited by hydrothermal electrophoretic deposition process.Phase compositions and microstructures of the as-prepared multi-layer coating were characterized by X-ray diffraction （XRD）,scaning electron microspocy （SEM） and energy dispersive spectrometer （EDS）.Anti-oxidation properties,oxidation behavior and the failure behavior of the coated composites were investigated.The results indicate that the multi-layer coating exhibits obviously two-layer structure.The inner layer is composed of β-SiC,α-SiC phase with a scale of silicon phase.The outer layer is composed of cristobalite aluminum phosphate （C-AlPO4） crystallites.The SEM observation shows the good bonding between the inner and outer layers.The multi-layer coating displays an excellent oxidation resistance in air in the temperature range from 1573 to 1773 K,and the corresponding oxidation activation energy of the coated C/C composites is calculated to be 117.2 kJ/mol.The oxidation process is predominantly controlled by the diffusion of O2 through the C-AlPO 4 coating.The failure of the multi-layer coating results from the generation of the microholes that may be left by the escape of the oxidation gases.

Effect of Tb Doping on Structural and Electrical Properties of BiFeO_3 Thin Films Prepared by Sol-Gel Technique

Bil_xTbxFe03 thin films were prepared on Sn02 （fluorine doped tin oxide） substrates by a sol-gel method. The structural and electrical properties of the BiFe03 thin films were characterized and tested. The results indicated that the diffraction peak of the Tb-doped BiFe03 films was shifted towards right as the doping amounts were increased. The structure was transformed from the rhombohedral to tetragonal/orthorhombic phase. The Bio.sgTbo.11Fe03 thin film showed the well-developed P-E loops, which enhanced remnant polarization （Pr = 88.05 μC/cm2） at room temperature. The dielectric constant and dielectric loss of Bio.sgTbo.llFe03 thin film at 100 kHz were 185 and 0.018, respectively. Furthermore, the Bio.seTbo.llFe03 thin film showed a relatively low leakage current density of 2.07×10-5 A/cm2 at an applied electric field of 150 kV/cm. The X- ray photoelectron spectroscopy （XPS） spectra indicated that the presence of Fe2＋ ions in the Bio.egTbo.11Fe03 thin film was less than that in the pure BiFe03.