Electronic structure and chemical reaction of Ca deposition on resiore8ular poly（3-hexylthiophene） surfaces

Conjugated polymer, regioregular poly（3-hexylthiophene） （rr-P3HT）, films were prepared by spin-coating the rr-P3HT chloroform solution onto clean silicon wafer surfaces. The chemical re- action and electronic structure of Ca deposition on rr-P3HT surfaces were in situ investigated by synchrotron radiation photoemission spectroscopy （SRPES） and X-ray photoemission spectros- copy （XPS）. Upon Ca deposition, Ca-induced band bending of rr-P3HT is observed. In addition, Ca atoms preferentially react with S atoms of rr-P3HT. No obvious reaction between Ca and C atoms can be found. Through the investigation of the evolution of valence band spectra and secondary electron cut-off of rr-P3HT during the process of Ca deposition, an energy level alignment diagram at the Ca/rr-P3HT interface is derived.     

The influence of molar ratios of Ce/Zr on the selective catalytic reduction of NOx with NH3 over Fe2O3-WO3/CexZrl-xO2 （0 〈 x 〈 1） monolith catalyst

A series of CexZrl_xO2 （0 ≤ x ≤ 1） with dif- ferent molar ratios of Ce/Zr were syhthesized via coprecip- itation method, and Fe2O3-WO3/CexZrl-xO2 monolithic catalysts were prepared, for selective catalytic reduction of nitrogen oxides by ammonia （NH3-SCR）. The structural properties and redox behavior of the catalysts were com- prehensively characterized by N2 physisorption, X-ray diffraction （XRD）, X-ray photoelectron spectra （XPS）, H2-temperature programmed reduction （H2-TPR） and activity measurement for NH3-SCR. The results showed that the NH3-SCR activities of the catalysts were gradually enhanced by increasing the molar ratios of Ce/Zr, especially the low- temperature catalytic activity and the reaction temperature window. Fe2O3-WO3/Ceo.68Zro.3202 monolithic catalyst presented the best NH3-SCR activity among the investigated catalysts, more than 90 % NOx could be removed in the temperature range of 247-454 ℃ on the catalyst under the gas hourly space velocities of 30,000 h- 1. And it always held more than 99 % N2 selectivity and less than 20 ppm （1 ppm =10-6 L/L ） N20 generation concentration between 200 and 500 ℃, the catalyst also displayed its strong resistance of H20 and SO2. Good textural and structural properties, more surface Fe, Ce and active oxygen were together contributed to the excellent NH3-SCR performance of Fe2O3-WO3/ Ce0.68Zr0.32O2 catalyst.     

Structural stability of infinite-layer CaCuCO<Subscript>2</Subscript> under high pressure

Since the discovery of high temperature supercon-ductivity by Bednorz et al. in 1986[1], many series of cu- prate superconductors have been synthesized. Critical temperature has been improved continuously. But no verdict has been given upon what mechanism causes su- perconductivity. CaCuO2 conductive layers are the parent structure of the high Tc cuprate superconductors, such as Cu-12 (n-1)n[2], Tl-12(n-1)n[3] and Hg-12(n-1)n[4,5] super- conductor families. In 1988, infinite-layer (Ca0.86S…     

Structural phase transition of edge-sharing copper oxide Ca<Subscript>0.85</Subscript>CuO<Subscript>2</Subscript> under high pressure

The perovskite-like structure compound Ca0.85CuO2 has interesting structural properties: it has infiniteone-dlmensional edge-sharing copper-oxygen chains as wellas partial occupancy of the Ca sites resulting in an incommensurate superstructure. In situ high.pressure energy dispersive X-ray diffraction measurements on polycrystallinepowder Ca0.85CuO2 have been performed by using diamondanvil cell (DAC) instrument with synchrotron radiation. Theresults for the first lime show that edge-sharing copper oxide Ca0.85CuO2 undergoes a structural transition at 14.5 GPa,and furthermore the structural transition is reversible.     

High pressure effects on the crystal structure and electric conductivity of perovskite like（Ca/Sr）2CuO2Cl2 compounds

The crystal structure stability as well as electric conductance of （Sr/Ca）2CuO2Cl2 compound with K2NiF4 structure was investigated up to 31 GPa using diamond anvil technique. It seems that （Sr/Ca）2CuO2Cl2 is quite stable under pressure but with obvious anisotropic compressibility. The equation of state （EOS） obtained shows relative large bulk modulus.     

Structure properties for the superconductor MgCNi<Subscript>3</Subscript> under high pressure with synchrotron radiation

In situ high pressure energy dispersive X-ray diffraction measurements on cubic-perovskite superconductor MgCNi₃ under pressure up to 22 GPa have been performed by using diamond anvil cell with synchrotron radiation. We have investigated its crystal structure and compressibility. The results show that the structure of MgCNi₃ is stable under pressure up to 22 GPa. According to Birch-Murnaghan state equation, when we assume B ₀′ = 4, we get B₀ = 267.8 ± 7.2 GPa.     

Field emission of SiCN thin films bombarded by Ar<Superscript>+</Superscript> ions

SiCN thin films were synthesized by a radio frequency chemical vapor deposition (RFCVD) system on P-type Si (1 0 0) wafers using C₂H₄, SiH₄ and N₂ as raw materials, In order to get rid of the oxygen absorbed on the surface and improve the characteristics of electron field emission, Ar⁺ ions of low energy were used to bombard the samples. The field emission characteristics of SiCN thin films before and after Ar⁺ bombardment were studied in the super vacuum environment of 10⁻⁶ Pa. It was showed that the turn-on field (defined as the point where the current-voltage curve shows a sharp increase in the current density) decreased from 38 V/μm before bombardment to 25 V/μm after bombardment. And the maximum emission current density increased from 159.2 to 267.4 μA/cm². The composition before and after Ar⁺ bombardment was compared using X-ray photoelectron spectroscopy (XPS). Our results illustrated that the field emission characteristics were improved after the bombardment of Ar⁺. Foundation item: Supported by the National Natural Science Foundation of China (19975035) Biography: Ma You-peng (1978), male, Master candidate, research direction: novel functional materials film and ion beam modification of materials.     

Giant magneto-optical faraday effect of nanometer Fe-In<Subscript>2</Subscript>O<Subscript>3</Subscript> granular films

The giant magneto-optical Faraday effect of nanometer ferromagnetic metal-semiconductor matrix Fe-ln2O3 granular films prepared by the radio frequency sputtering are studied. The result shows that the Faraday rotation angle θF value of the granular film samples with Fe volume fraction x = 35% is of the order of 10^5（°）/cm at room temperature. Temperature dependence of the Faraday rotation angle θF of Fe0.35（In2O3）0.65 granular films shows that θF value below 10 K increases rapidly with the decrease of the temperature, and when T= 4.2 K, θF value is 106（°）/cm. Through the study of the dependence of low field susceptibility on temperature and the hysteresis loops at different temperatures, it has been found that when the temperature decreases to a critical point Tp = 10 K, the transformation of state from ferro-agnetic to spin-glass-like occurs in Fe0.35（In2O3）0.65 granular films. The remarkable increase of the Faraday rotation angle θF value of Fe0.35（In2O3）0.65 granular films below 10 K seems to arise from the sp-d exchange interaction of the granular film samples in the spin-glass-like state.     

Influence of post-annealing on the properties of Ta-doped In<Subscript>2</Subscript>O<Subscript>3</Subscript> transparent conductive films

Ta-doped In₂O₃ transparent conductive oxide films were deposited on glass substrates using radio-frequency (RF) sputtering at 300°C. The influence of post-annealing on the structural, morphologic, electrical and optical properties of the films was investigated using X-ray diffraction, field emission scanning electron microscopy, Hall measurements and optical transmission spectroscopy. The obtained films were polycrystalline with a cubic structure and were preferentially oriented in the (222) crystallographic direction. The lowest resistivity, 5.1×10⁻⁴ Ω cm, was obtained in the film annealed at 500°C, which is half of that of the un-annealed film (9.9×10⁻⁴ Ω cm). The average optical transmittance of the films was over 90%. The optical bandgap was found to decrease with increasing annealing temperature.     

Synthesis, Characterization and Calorimetry of Ni（C4H8N2O3）2Cl2

A coordination complex was synthesized from NiCl2 and dipeptide glycylglycine（GG）. It was characterized by element analysis, NMR and TG methods, and then was determined to be Ni（C4HsN2O3）2Cl2. Using an isoperibolic reaction calorimeter, the standard molar enthalpy of formation of Ni（GG）2Cl2（solid） has been determined to be -（1 674.66±2.02） kJ · mol^-1 at 298.15 K.     

甲醛在Ag(110)面上的非均相氧化

用热脱附谱、低能电子衍射和电子诱导脱附离子角度分布(ESDIAD)研究了甲醛与氧在Ag(110)面上的吸附和反应。结果表明,低温条件下每个吸附态氧原子能稳住几个甲醛分子,其中大部分在220K时以甲醛形式脱附。ESDIAD照片(225K)进一步证明了HCOOH_(a)中间体的存在,该中间体在235K进一步脱氢,在晶体表面上留下较稳定的吸附态甲酸脂(HCOO_(a))。在250K还出现一个水脱附峰和一个较小的甲醛脱附峰。吸附态甲酸脂在395K分解成CO_2和H_2。对反应机理作了探讨。     

Photo-induced degradation of Ru（Ⅱ） complex absorbed on anatase TiO2 thin film electrode

Photo-induced degradation of a monolayer of Ru（Ⅱ） complex absorbed on anatase TiO2 thin film was studied by using resonant micro-Raman spectroscopy. Under intense light radiation of a laser and in the absence of a reducing agent, the dye decomposed quickly. When the dye-sensitized TiO2 thin film electrode was covered by a reducing agent, namely the I^-/I3^- redox couple, the photo-induced decomposing rate was slowed by a factor of -10^6. In both cases, the dye decomposed with time under an exponential law.