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.     

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.     

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。     

Preparation of nano-crystal N-Zn/TiO<Subscript>2</Subscript> anode films and the effects of co-sensitization on the performance of dye-sensitized solar cells

A nano-crystal N-Zn/TiO₂ anode film was prepared using a combined technology. X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy and cyclic voltammetry characterizations showed that the two elements N and Zn were doped into nano-crystal TiO₂ successfully. This resulted in a strong redshift in the UV-Visible spectrum. UV-Visible measurements showed that the light absorption of N719 and P3OT were complementary and covered the entire visible region. This led to a high utilization of visible light. Solar cells based on the N-Zn/TiO₂ anode film were co-sensitized using P3OT and N719. The cells have a short-circuit current density of 7.91 mA/cm², an open-circuit photovoltage of 0.659 V, and a photoelectric conversion efficiency of 2.64%. Also, the relationship among the N-Zn/TiO₂-film anode’s electric structure, the dye’s LUMO, electrochemical impedance, and photoelectric conversion efficiency are discussed in the paper.     

Character and fabrication of Al/Al<Subscript>2</Subscript>O<Subscript>3</Subscript>/Al tunnel junctions for qubit application

The superconductive Josephson junction is the key device for superconducting quantum computation. We have fabricated Al/Al2O3/Al tunnel junctions using a double angle evaporation method based on a suspended shadow mask. The Al2O3 junction barrier has been formed by introducing pure oxygen into the chamber during the fabrication process. We have adjusted exposure conditions by changing either the oxygen pressure or the oxidizing time during the formation of tunnel barriers to control the critical current density Jc and the junction specific resistance Rc. Measurements of the leakage in Al/Al2O3/Al tunnel junctions show that the devices are suitable for qubit applications.     

Catalysis of organic pollutant photodegradation by metal phthalocyanines immobilized on TiO<Subscript>2</Subscript>@SiO<Subscript>2</Subscript>

A TiO2@SiO2 hybrid support was prepared by the sol-precipitation method using n-octylamine as a template.The photocatalyst manganese phthalocyanine tetrasulfonic acid (MnPcS) was immobilized on the support to form MnPcS-TiO2@SiO2.X-ray diffraction (XRD) and UV-Visible diffuse reflectance spectra (UV-Vis DRS) were employed to characterize the catalyst.The photocatalytic degradation of rhodamine B (RhB) and the catalytic oxidation of o-phenylenediamine (OPDA) under visible light irradiation were used as probe reactions.The mineralization efficiency and the degradation mechanism were evaluated using chemical oxygen demand (COD Cr) assays and electron spin resonance (ESR),respectively.RhB was efficiently degraded by immobilized MnPcS-TiO2@SiO2 under visible light irradiation.Complete decolorization of RhB occurred after 240 min of irradiation and 64.02% COD Cr removal occurred after 24 h of irradiation.ESR results indicated that the oxidation process was dominated by the hydroxyl radical (·OH) and superoxide radical (O-·2) generated in the system.     

Etching mechanism of barium strontium titanate （BST） thin films in CHF_3/Ar plasma

Reactive ion etching was used to etch barium strontium titanate thin films in a CHF3/Ar plasma.BST surfaces before and after etching were analyzed by X-ray photoelectron spectroscopy to investigate the reaction ion etching mechanism,and chemical reactions had occurred between the F plasma and the Ba,Sr and Ti metal species.Fluorides of these metals were formed and remained on the surface during the etching process.Ti was almost completely removed because the TiF4 by-product is volatile.Minor quantities of Ti?F could still be detected by narrow scan X-ray photoelectron spectra,and Ti?F was thought to be present in the form of a metal-oxy-fluoride.These species were investigated from O1s spectra,and a fluoride-rich surface was formed during etching.BaF2 and SrF2 residues were difficult to remove because of their high boiling point.The etching rate was limited to 12.86 nm/min.C?F polymers were not found on the surface,indicating that the removal of BaF2 and SrF2 was important for further etching.A 1-min Ar/15 plasma physical sputtering was carried out for every 4 min of surface etching,which effectively removed remaining surface residue.Sequential chemical reaction and sputtered etching is an effective etching method for barium strontium titanate films.     

Synthesis,Structure and Antitumor Activities of [Ni（dien）2][Ni（CN）4] Complex

Ni(II)-dien complex was prepared and characterized by X-ray diffraction. The crystal belongs to triclinic system, space group P-1, with crystallographic parametersa=0.888 13(18) nm,b=0.890 10(18) nm,c=1. 591 8(3) nm, α=77.71(3)°, β=89.12(3)°, γ=61.24(3)°,Z=2. The two dien molecules coordinate to the central Ni atom, the six nitrogen atoms form a distorted octahedron. Preliminary pharmacological tests showed this complex had antitumor activity against HepG₂ and HL-60 cell linesin vitro. Foundation item, Supported by the National Natural Science Foundation of China (29972034) Biography: Li Tao (1976-), male, Ph. D candidate, research direction: ophthalmology and chemicalbiology.