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121.
The structures and electronic properties for C36 encapsulated in four single-wall armchair carbon nanotubes (C36@(n,n), n=6-9) were calculated using ab initio self-consistent field crystal orbital method based on density functional theory. The calculations show that the interwall spacing between the carbon nanotube and C36 plays an important role in the stabilities of resultant structures. The optimum interwall spacing is about 0.30 nm and the tubes can be considered as inert containers for the encapsulated C36. The Fermi levels and relative position of energy bands also have something to do with the interwall spacing. The shifts of Fermi level and C36-derived electron states modulate the electron properties of these structures. The extra electrons fill the bands of C36@(8,8) with the optimum interwall spacing almost in a rigid-band manner. 相似文献
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123.
In the system of SDS/n-C5H11OH/n-C7H16/H2O with the weight ratio of SDS/n-C5H11OH/H2O system at5.0/47.5/47.5, the upper phase of the system was W/O microemulsion, and the lower phase was the bicontinuous microemulsion. When the n-heptane content was less than 1%, with the increase of the n-heptane content, the capacitance (Co, Cod) in the upper phase (W/O) dropped, the capacitance (CB1, CBld) in the lower phase (BI) raised. At the same time, the W/O-BI inteffacial potential (ΔE), capacitance (Ci), and charge-transfer current (ict) decreased.After the n-heptane content reached 1%, with the increase of the n-heptane content, ΔE, Ci and ict demonstrated no significant change. 相似文献
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125.
The conformational properties and elastic behaviors of protein-like single chains in the process of tensile elongation were investigated by means of Monte Carlo method. The sequences of protein-like single chains contain two types of residues: hydrophobic (H) and hydrophilic (P). The average conformations and thermodynamics statistical properties of protein-like single chains with various elongation ratio λ were calculated. It was found that the mean-square end-to-end distance r increases with elongation ratio,λ. The tensor eigenvalues ratio of : decreases with elongation ratio λ for short (HP)x protein-like polymers, however, the ratio of : increases with elongation ratioλ,especially for long (H)x sequence. Average energy per bond increases with elongation ratioλ, especially for(H)x protein-like single chains. Helmholtz free energy per bond also increases with elongation ratioλ. Elastic force (f), energy contribution to force (fU) and entropy contribution to force (fs) for different protein-like single chains were also calculated.These investigations may provide some insights into elastic behaviors of proteins. 相似文献
126.
Shi-jun Zheng Qun Xu Shao-kui Cao 《高分子科学》2007,(2):171-179
The novel shish-kebab-type liquid crystalline cross-conjugated (p-phenylene)s-poly(p-phenylenevinylene)s hybrid was synthesized through Gilch polymerization. Their structures and properties were characterized by NMR, GPC, DSC, X-ray diffraction and polarizing optical microscope (POM). ^1H-NMR investigation of the polymers indicates that the shish-kebab-structure has a strong ability to suppress the structural defects in the polymers. The polymers are enantiotropic liquid crystals. The melting point (Tm) of the polymers decreases when the length of the alkoxy tails of the mesogenic units increases. The mesophase was identified by X-ray diffraction method. They showed not only a smectic LC phase, but also a strong green fluorescence in chloroform. The maximum absorption band of the "kebabs" of the two, 5-bis(4'- alkoxyphenyl)benzene at 280 nm did not appear in absorption spectra of the polymers. The same phenomena were also observed in the fluorescence spectra. These results imply that the polymers have formed a cross-conjugated uniform structure and achieved an extended n-conjugation polymer. 相似文献
127.
掺杂铕和铽的卤硼酸盐荧光体的制备及光谱特征 总被引:1,自引:0,他引:1
采用高温固相法在空气中合成了一系列掺杂稀土离子的卤硼酸盐荧光体, 研究了其发光性质和基质组成对稀土离子共掺杂的荧光体发光性质的影响. 研究结果表明, 在Eu3+和Tb3+共掺杂的体系中存在电子转移, 因此出现了Eu3+, Eu2+和 Tb3+共存于同一基质共同发射的现象. Ce3+对Eu2+和Tb3+具有敏化作用, 可增强其发射强度. 基质的组成对稀土离子的发射峰位和发射强度有明显影响. 相似文献
128.
烟草三维荧光特征和品质评吸的关系 总被引:2,自引:0,他引:2
研究不同品种烟草石油醚冷萃取物的三维荧光光谱,包括烟草所共在的荧光性质和各自的荧光特性,寻找它们与烟草香味,颈头等吃味之间的关系,选择合适的量值指标,为烟草品质的 观感官评估提供了一个实用的对照方法。 相似文献
129.
鉴于亚锰酸镧的结构和缺陷在理论和应用上的重要性,本文总结了近年来对LaMnO3及其A位掺杂物的结构与缺陷的研究.着重分析了其氧化学非计量性和La/Mn比与结构及缺陷的关系.并讨论了亚锰酸镧的各种缺陷模型.指出了目前研究中存在的一些争议和一些缺乏足够研究的方面. 相似文献
130.
枸杞多糖对白血病细胞作用热化学特征研究 总被引:3,自引:0,他引:3
用微量热法研究了枸杞多糖对小鼠白血病细胞L1210代谢作用的热化学特征。结果表明,枸杞多糖对L1210细胞代谢有明显的抑制作用,为枸杞在防治肿瘤中的应用提供了可靠的信息。 相似文献