Impact of Native Defects in the High Dielectric Constant Oxide HfSiO_4 on MOS Device Performance

Native dejects in HfSiO4 are investigated by first principles calculations. Transition levels of native detects can be accurately described by employing the nonlocal HSE06 hybrid functional. This methodology overcomes the band gap problem in traditional functionals. By band alignments among the Si, GaAs and HfSiO4. we are able to determine the position of defect levels in Si and GaAs relative to the HfSiO4 band gap. We evaluate the. possibility of these defects acting as fixed charge. Native defects lead to the change of valence and conduction band offsets. Gate leakage current is evaluated by the band offset. In addition, we also investigate diffusions of native defects, and discuss how they affect the MOS device performance.

Mechanism of Fume Suppression and Performance on Asphalt of Expanded Graphite for Pavement under High Temperature Condition

Fume suppression mechanisms and the effect of expanded graphite on the performance of asphalt were studied by applying infrared spectroscopy（FT-IR）, X-ray diffraction（XRD）, scanning electron microscopy（SEM） and comprehensive thermal analysis（TG, DSC）. The experimental results confirm that asphalt which is mixed with expandable graphite will expand in the process of hot mix, and the expanded graphite layer will swell by the light component in the asphalt. The light component in the asphalt and PAHs adsorption on expanded graphite surface or part of the plug in the expanded graphite layer between plates made nucleation crystallization growth. And the Van der Waals force and the bonding of the lattice can effectively restrain the asphalt fume release. Meanwhile, the expanding agent with oxidative can spread into the asphalt, leading to asphalt oxygenated and plastic abate, while the ductility decreases. Expanded graphite, SBS modifier and environment- friendly plasticizers are used to composite modified asphalt. According to asphalt fume release experiment, normal test of asphalt performance, Brookfield viscosity test, RTFOT test and asphalt mixture tests（high temperature stability, low temperature stability, water stability）, it has been proven that the modified asphalt’s performance is better than that of matrix asphalt and equivalent to that of SBS modified asphalt. Furthermore, it has good fume suppression effect.

Electrochemical performance of aluminum niobium oxide as anode for lithium-ion batteries

AlNbO_4,as lithium-ion batteries（LIBs） anode,has a high theoretical capacity of 291.5 m Ah g^-1.Here,AlNbO_4 anode materials were synthesized through a simple solid-state method.The structure,morphology and electrochemical performances of AlNbO4 anode were systematically investigated.The results show that AlNbO4 is monoclinic with C2/m space group.The scanning electron microscopy（SEM） and transmission electron microscopy（TEM） characterizations reveal the AlNbO_4 particles with the size of 100 nm^–2 lm.As a lithium-ion batteries anode,AlNbO4 delivers a high reversible capacity and good rate capability.The discharge capacity is as high as 151.0 m Ah g^-1 after 50 charge and discharge cycles at 0.1 C corresponding to capacity retention of 90.7 %.When the current density increases to 5.0C,AlNbO4 anode displays reversible discharge capacity of 73.6 m Ah g^-1 at the50 th cycle.

Effect of WOx promoter on Pt/ZrO2-HMS catalysts for n-heptane isomerization： Catalytic performance and kinetics study

Platinated W/Zr mixed oxides supported on mesoporous silica with various amounts of Si/Zr, namely PtWO_3/ZrO_2（[76_TD$IF]x）-HMS, were prepared and studied for n-heptane isomerization reaction at 200–350 C. The various methods such as XRD, XRF, FT-IR, UV–vis DRS, NH_3-TPD, H_2 chemisorption, nitrogen adsorption–desorption, Py-IR, SEM and TGA techniques were used for characterization of these materials. Kinetics of n-heptane isomerization was also investigated under various hydrogen. n-Heptane pressures and the influence of reaction conditions on catalytic performance were studied. The ideal catalytic performance was observed on HMS with 0.6%Pt/12%WO_3/ZrO_2 and Si/Zr = 10.