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51.
The energies of various steps on the As-terminated GaAs(001)-2 × 4 surface are evaluated using a novel, approximate method of “linear combination of structural motifs”. It is based on the observation that previous total energy minimizations of semiconductor surfaces produced invariably equilibrium structures made of the same recurring local structural motifs, e.g. tetrahedral fourfold Ga, pyramidal threefold As, etc. Furthermore, such surface structures were found to obey consistently the octet rules as applied to the local motifs. We thus express the total energy of a given semiconductor surface as a sum of (i) the energies M of the local structural motifs appearing in the surface under consideration and (ii) an electrostatic term representing the Madelung energy of point charges resulting from application of the octet rule. The motif energies are derived from a set of pseudopotential total energy calculations for flat GaAs(001) surfaces and for point defects in bulk GaAs. This set of parameters suffices to reproduce the energies of other (001) surfaces, calculated using the same pseudopotential total energy approach. Application to GaAs(001)-2 × 4 surfaces with steps reveals the following. (i) “Primitive steps”, defined solely according to their geometries (i.e. step heights, widths and orientations) are often unstable. (ii) Additional, non-geometric factors beyond step geometries such as addition of surface adatoms, creation of vacancies and atomic rebonding at step edges are important to lower step energies. So is step-step interaction. (iii) The formation of steps is generally endothermic. (iv) The formation of steps with edges parallel to the direction of surface As dimers (A steps) is energetically favored over the formation of steps whose edges are perpendicular to the As dimers (B steps). 相似文献
52.
53.
Hydrothermal synthesis and in situ surface modification of boehmite nanoparticles in supercritical water 总被引:2,自引:1,他引:1
T. Mousavand S. Ohara M. Umetsu J. Zhang S. Takami T. Naka T. Adschiri 《The Journal of Supercritical Fluids》2007,40(3):397-401
In situ surface modification of boehmite (AlOOH) nanoparticles during hydrothermal synthesis in supercritical water was examined by adding CH3(CH2)4CHO and CH3(CH2)5NH2 as modifier reagents to the reactants. Changes in surface properties of the nanoparticles by surface modification was observed by FTIR, dispersion in solvents and TEM analyses, which demonstrated that reagents chemically binded onto the surface of the AlOOH nanoparticles. The results of SEM and TEM pictures show that the surface modification affects crystal growth and reduces the particle size and changes the morphology of the particles. 相似文献
54.
Ying Bai Yanfeng Yin Na Liu Bingkun Guo Hongjun Shi Jianyong Liu Zhaoxiang Wang Liquan Chen 《Journal of power sources》2007
As the continuance of our series study on LiCoO2 surface modification, the complicated traditional surface coating method is replaced with simple addition of amorphous YPO4 and Al2O3 in commercial LiCoO2 or in commercial electrolyte based on our understanding to the improvement mechanism of surface modification. Comprehensive studies by X-ray photoelectron spectroscopy (XPS), gas chromatography and mass spectroscopy (GC–MS), inductively coupled plasma (ICP) and Fourier transformed infrared (FTIR) indicate that the products of spontaneous reaction between the additive and the LiPF6 based electrolyte are responsible for the performance improvements. 相似文献
55.
56.
已二醇二丙烯酸酯对真丝的接枝改性研究 总被引:2,自引:0,他引:2
研究了用二醇二丙烯酸酯为接枝单体、过硫酸铵(APS)为引发剂对真丝的接枝共聚反应,分析了接枝率的影响素,并测试了改性真丝的主要应用性能。结果表明:乳液和乙醇/水为溶剂的2种体系都能在真丝上获得较高接枝率。对于乙醇/水体系v(乙醇):v(H2O)=1:1,接枝单体20~30g/L,2%甲酸4ml,引发剂APS 0.5g/L,65~70℃接枝60min的接枝率高。改性后真丝的断裂强度、延伸度、吸湿性能都可获得改善,对酸、碱的溶解性提高,但染色性能提高不明显,对泛黄性改善一般。 相似文献
57.
偶联剂处理硅灰石填充不饱和聚酯树脂的研究 总被引:2,自引:0,他引:2
对针状硅灰石 (L∶D≥ 10∶32 5目 )提纯后 ,采用偶联剂进行表面处理 ,将硅灰石按不同比例填充于不饱和聚酯树脂体系中 ,研究了材料的性能。结果表明 ,改性后的硅灰石可显著改善不饱和聚酯的性能。 相似文献
58.
Free‐radical solution copolymerization of itaconic acid and acrylonitrile was carried out in DMSO using azodiisobutyronitrile as an initiator, changing the feed rate of itaconic acid. The resulting polymerization solution was spun to form polyacrylonitrile (PAN) precursors of carbon fibers. The precursors were treated with a CoSO4 aqueous solution on‐line. The structure and properties of untreated and treated PAN precursors and the resultant carbon fibers were characterized by SEM and TEM, a stabilization process, etc. It is suggested that CoSO4 acts as a catalyst in the formation of a ladder structure and reduces the temperature of cyclization, and the carbon fibers developed from treated PAN fibers showed improvement in the tensile strength and the Young's modulus. © 2002 Wiley Periodicals, Inc. J Appl Polym Sci 85: 153–158, 2002 相似文献
59.
IFP连续重整新一代催化剂再生技术的改进 总被引:2,自引:0,他引:2
介绍了我国引进的采用法国石油研究院 (IFP)三代催化剂连续再生技术的重整装置 ,分析了第二、第三代技术在原有基础上的改进 ,从再生气循环回路、再生操作参数和再生器内部结构三个方面重点介绍了第三代催化剂连续再生技术的特点和优势 :使催化剂的烧焦气循环回路与氧氯化用气、焙烧气循环回路彼此分开 ,烧焦、氧氯化、焙烧的操作参数可分别得到优化 ,使氧氯化及焙烧在高氧条件下进行 ,有利于催化剂金属的再分散 ,保持催化剂的活性。 相似文献
60.
《Drying Technology》2007,25(7):1237-1242
Rewarming of fruits and vegetables after cooling is characterized by heat and mass transfer processes, which leads commonly to condensation of water on the produce surface at temperatures below the dew point. This effect may affect the produce quality due to microbial growth at unfavorable environmental conditions. The amount of condensed water is a function of the produce surface temperature and of the surrounding conditions as air temperature, air humidity, and air flow. Under practical conditions, both the warming and the condensation are strongly affected by the packaging system used. Depending on the flow conditions close to the produce surface, parameters of heat and mass transfer under laboratory conditions were measured. A mathematical model was developed for the determination of the amount of condensed water on fruit surfaces, its reevaporation, and its total dwell time dependent on the environment air conditions. The model describes the heat and mass transfer processes on single fruits. The process of diffusion of humidity in air and proceed of surface temperature is the basis for the model. 相似文献