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171.
Grand canonical Monte Carlo (GCMC) simulations have been performed to investigate the components of the force between parallel charged surfaces in an electrolyte. The solvent primitive model (SPM) was used to investigate the effect of neutral hard sphere solvent particles on the force between the surfaces. The effects of particle size, wall charge density, charge valency of the electrolyte, and the exclusion of neutral hard sphere are discussed. When solvent particles are considered, the total force between the charged surfaces is always repulsive, even for divalent counterions. This is different from the earlier conclusion reached with a restricted primitive model electrolyte. The repulsive force decreases in going from monovalent counterions to divalent counterions. 相似文献
172.
High level ab initio, up to RCCSD(T), and B3LYP calculations were employed to calculate thermochemical properties for KOH and KOH+. Basis sets were of both all-electron and effective core potential (ECP) types: in both cases large, flexible valence basis sets were used, and the largest basis sets were of quintuple-zeta quality. Both KOH and KOH+ were found to be linear; in the latter case, the Renner-Teller effect is discussed. The results are close to convergence with regard to both basis sets and levels of theory. The most reliable quantities are: first AIE(KOH) = 7.38±0.02eV; D0(K- -OH) = 82 ± 1 kcal mol-1; D0(K+ …OH) = 11.4 ± 1 kcalmol-1; δHf(KOH,298K) = ?53 ± 1 kcalmol?1; and δHf(KOH+,298K) = 119 ± 1 kcalmol-1. 相似文献
173.
SEUNG WHAN KO SEUNG HYUN LEE KI-MIN PARK SHIM SUNG LEE KYE CHUN NAM 《Supramolecular chemistry》2013,25(2):117-125
The preparation and characterization of gold nanoparticles (~6 nm in diameter) modified with mono-6-thio-β-cyclodextrin (II) is described. The resulting monolayer-protected gold nanoparticles are water-soluble and more stable. The concentration of II plays a crucial role for the distribution of the modified nanoparticles. When the ratio of concentration of II to HAuCl4,[II]/[HAuCl4] ≥ 0.93, a stable gold nanoparticle with uniform distribution and diameter of 6.0 ± 0.9 nm will be obtained. The recognition of modified gold nanoparticles to organic guest molecule is researched. The modified gold nanoparticles can make the electrochemical reduction current of nitrobenzene decrease and can be self-assembled in three-dimensional to form spherical clusters with ligand of methylene green. 相似文献
174.
TIMO A LÄHDE EVGENY EPELBAUM HERMANN KREBS DEAN LEE ULF-G MEISSNER GAUTAM RUPAK 《Pramana》2014,83(5):651-659
We review the calculation of the Hoyle state of 12C in nuclear lattice effective field theory (NLEFT) and its anthropic implications in the nucleosynthesis of 12C and 16O in red giant stars. We also analyse the extension of NLEFT to the regime of medium-mass nuclei, with emphasis on the determination of the ground-state energies of the α nuclei 16O, 20Ne, 24Mg, and 28Si by Euclidean time projection. Finally, we discuss recent NLEFT results for the spectrum, electromagnetic properties, and α-cluster structure of 16O. 相似文献
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176.
ZHAO JianWen QIAN Jun SHEN YongQiang WANG XiaoHua SHI AiHua & LEE ChunWei College of Chemistry Chemical Engineering Jishou University Jishou China Printable Electronics Research Centre Suzhou Institute of Nanotech Nano-bionics Chinese Academy of Sciences Suzhou China Key Laboratory of Photochemical Conversion Optoelectronic Materials TIPC Beijing China School of Materials Science Engineering Nanyang Technological University Si... 《中国科学B辑(英文版)》2011,(9)
Here we report a simple and scalable method to fabricate high performance thin-film field-effect transistors(FETs) with high yield based on chemically functionalized single-walled carbon nanotubes(SWNTs) by organic radical initiators.The UV-Vis-NIR spectra,Raman spectra and electrical characterization demonstrated that metallic species in CoMoCat 65 and HiPco SWNTs could be effectively eliminated after reaction with some organic radical initiators.The effects of the substrate properties on the electrical pr... 相似文献
177.
Poly-phenylquinoxaline is used as the electroluminescent( EL) materials to fabricate the thin film electroluminescent devices by the spin coating method. Doped with 1,3,5-triphenyl-2-pyrazoline,the EL spectrum of the devices is shifted to the blue-green region with its peak located at 465nm. The incorporation of a hole transport layer,poly-vinylcarbazole,will enhance the EL intensity,and the quantum efficiency is estimated to be 0.2%. Thus,the devices can be driven by either positive or negative bias(or ac voltage) even though the currentvoltage curve possesses a rectifying property. 相似文献
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Bi-2212单晶本征Josephson结的制备及其非线性行为 总被引:1,自引:0,他引:1
采用自助熔剂固态反应法制作了Bi2Sr2CaCu2O8+x单晶,使用光刻蚀和Ar离子刻蚀技术在Bi-2212单晶表面制作了台阶结构的Josephson本征结.用三引线和四引线法分别测量了该样品零场下c轴方向的电阻-温度(R-T)关系和恒定温度(14.4K)时的I-V特征曲线.I-V曲线具有典型的多分支非线性行为,并对该实验结果进行了讨论. 相似文献