The effect of electronic orbital interactions on p-type doping tendency in ZnO series： First-principles calculations

The electronic structures and optical properties of B3 ZnO series of Znelectronic structures, optical properties, pseudopotential plane-wave method, \\ \hspace*{1.9cm} p-type doping tendency,electronic structures, optical properties, pseudopotential plane-wave method, \\ \hspace*{1.9cm} p-type doping tendencyProject supported by the National Natural Science Foundation of China (Grant No~10625416).2007-04-252007-06-18The electronic structures and optical properties of B3 ZnO series of Zn4X4-yMy（X ：O, S, Se or Te; M = N, Sb, C1 or I; y = 0 or 1） are studied by first-principles calculations using a pseudopotential plane-wave method. The results show that Zn d-X p orbital interactions play an important role in the p-type doping tendency in zinc-based Ⅱ-Ⅵ semiconductors. In ZnX, with increasing atomic number of X, Zn d-X p orbital interactions decrease and Zn s-X p orbital interactions increase. Additionally, substituting group-V elements for X will reduce the Zn d-X p orbital interactions while substituting group-VII elements for X will increase the Zn d-X p orbital interactions. The results also show that group-V-doped ZnX and group-Ⅷ-doped ZnX exhibit different optical behaviours due to their different orbital interaction effects.     

采用高压RF-PECVD法制备高电导、高晶化率的p型微晶硅材料

本文报道了采用高压射频等离子体增强化学气相沉积(RF-PECVD)方法制备高电导、高晶化率的p型微晶硅材料的结果.重点研究了反应压力和辉光功率对p型微晶硅材料结构和电学特性的影响.通过沉积参数的优化,在很薄的厚度(33nm)时,材料的暗电导率依然达到1.81S/cm,激活能达25meV,晶化率为57;.文中还对高压RF-PECVD能够制备p型微晶硅材料的生长机理和高电导机理进行了分析.     

Electrochemical Performance Studies of Tin Oxide Prepared by Sol-Gel

IntroductionSince the introduction of commercial lithium-ion batteries for the portable devices in the 1 990′s,the search for new anode materials with improvedenergy density and cycle- ability has never beenstopped[1— 5] .Graphite used as the early commercialanode material for lithium- ion batteries over otherkinds of materials in terms of its flat intercalationpotential and high cycle- ability[6,7] can′t keep pacewith the demand today because of its low capacity.In resentyears,the greateff…     

纳米SnO2-CuO粉体的制备、表征及对环三次甲基三硝胺热分解的催化性能

复合纳米粒子;共沉淀法;热分解;纳米SnO2-CuO粉体的制备、表征及对环三次甲基三硝胺热分解的催化性能     

p－型空间中的Kolmogorov重对数律

主要说明了Ｋｏｌｍｏｇｏｒｏｖ重对数律对ｐ型Ｂａｎａｃｈ空间值独立、零均值的随机元列有类似于对实值的表现形式，从而揭示了空间的型ｐ与重对数律的开方指数之间有着密切的关系．     

Theoretical study on the reaction mechanism and thermodynamics of tin oxidation by oxygen species and chlorine species

In this work ab initio molecular orbital methods were employed to study the coal combustion reaction mechanisms of tin oxidized by different oxidants, including HOCl, HCl, ClO, ClO₂, NO₃, CO₂, and O₂. Eleven reaction pathways were identified. The results show that Sn can react with HCl, ClOO, CO₂, O₂, and NO₃ to form SnO and SnCl. SnO can be oxidized into SnCl by HOCl and HCl. SnCl can be further oxidized into a soluble compound, SnCl₂. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005     

Site-specific immobilization of flavin adenine dinucleotide on indium/tin oxide electrodes through flavin adenine amino group

A Mannich-type reaction was used to attach flavin adenine dinucleotide (FAD) covalently to aminosilane derivatized indium/tin oxide-coated glass plates. The aminosilane was activated with formaldehyde to give an intermediate that attached specifically to the adenine amino group of FAD. The presence of the intermediate also was demonstrated by coupling hydroquinone to the formaldehyde activated support. The immobilized FAD and hydroquinone were characterized by cyclic or differential pulse voltammetry. The immobilized FAD was shown to reduce the overpotential for NADH oxidation by 180 mV. In keeping with results for FAD on glassy carbon, FAD attached to indium/tin oxide at the adenine amino group did not lead to reconstitution of activity with apoglucose oxidase. On leave from University of Madras, India.     

Photoluminescence properties of SnO2 nanowhiskers grown by thermal evaporation

SnO₂ nanowhiskers were synthesized by thermal oxidation with and without a gold film as a catalyst. The SEM images reveal wire-like and rod-shaped nanowhiskers about several hundred micrometers in length and 100 nm in diameter. The three observed Raman peaks at 474, 632, and 774 cm⁻¹ indicate the typical rutile phase which is in agreement with the X-ray diffraction results. The photoluminescence properties were measured at room temperature. The peaks at 342 nm corresponding to the excitation transitions from the conduction band to the valence band of the SnO₂ nanowhiskers were not observed. However, a strong emission band at 600 nm was detected indicating the existence of oxygen vacancies in both samples. A new emission band at 398 nm was also observed in the sample with the gold film and it could be attributed to the near band-edge emission.     

纳米SnO的溶胶-凝胶法制备与电化学性能

以氯化亚锡、草酸和无水乙醇为原料，采用溶胶-凝胶法制备了纳米SnO粉末，并用热重-差热分析、X-射线衍射分析、透射电镜和扫描电镜等多种电化学方法对其进行了表征。结果表明，采用溶胶-凝胶法可以制备出粒度分布较集中，平均粒径在20 nm左右的纳米SnO粉末。该纳米SnO的可逆容量达到607 mAh·g^-1，经80次循环后平均每次循环的容量损失只有0.056%，说明纳米SnO是一种优秀的高容量锂离子电池负极材料。     

Selective fabrication of n‐ and p‐type SnO films without doping

Undoped n‐ and p‐type tin monoxide (SnO) films have been selectively fabricated by pulsed laser deposition with a Sn target and careful control of oxygen partial pressure. The films are epitaxially grown in optimal growth conditions on yttria‐stabilized zirconia (YSZ) substrates with out‐of‐plane and in‐plane orientation relationships of (001)_SnO//(001)_YSZ and [110]_SnO//[100]_YSZ, respectively. Both Seebeck and Hall measurements show consistent results on the carrier types of the films. The electron Hall mobility is approximately 11 cm²/Vs at room temperature and the carrier activation energy is 0.14 eV for the n‐type film. The growth at increased oxygen partial pressure yields p‐type films, demonstrating the selective fabrication of both n‐ and p‐type SnO films without doping. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)