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101.
102.
利用密度泛函理论在B3LYP/6-31G(d)基组水平上研究了具有zigzag边界的石墨烯量子点,结果表明不同大小的石墨烯量子点的基态都是具有磁性的自旋三重态.其磁性一方面来源于zigzag边界上占有凸出位置的碳原子,另一方面来源于带有孤对电子的碳原子.从整体上看,除6b结构外,其他结构的能隙随着苯环数量的增加逐渐减小,而附加电荷却使体系能隙明显减小.用含时密度泛函理论(TD-DFT)对能隙为3.83 eV的由六个苯环排列成的三角形结构进行了激发态的计算,发现第十七激发态强度最大,能量为3.93 eV,对
关键词:
石墨烯量子点
磁性
能隙
激发态 相似文献
103.
104.
Chen H Lü JH Liang WQ Huang YH Zhang WJ Zhang DB 《Micron (Oxford, England : 1993)》2004,35(5):311-318
Hepatitis B virus core antigen (HBcAg) gene (C gene) was expressed in Saccharomyces cerevisiae and the products (rHBcAg or core particles) were purified from a crude lysate of the yeast by three steps: Sephrose CL-4B chromatography, Sucrose step-gradient ultracentrifugation and CsCl-isopycnic ultracentrifugation. It has been observed that HBcAg was synthesized in yeast cells as a particle consisting of polypeptides with a molecular weight of 21.5 kDa (p21.5). Results of ELISA test and density analysis of CsCl-isopycnic ultracentrifugation indicated that the purified products (rHBcAg particles) with HBcAg antigenicity mainly located at the densities of 1.27 and 1.40 g ml(-1), respectively. Observation and analysis of the purified rHBcAg products by TEM indicated that rHBcAg peptides could mainly self-assemble into two size classes of core particles. The larger particles were approximately 30.1 nm and the smaller were approximately 21.5 nm in mean diameter. Further observation and analysis of the same rHBcAg (core) particles by AFM also indicated that rHBcAg (core) particles were similar to the native HBcAg (core) particles from infected human hepatocytes and mainly composed of two size classes of partides core. The larger particles were approximately 31.3 nm and the smaller were approximately 22.5 nm in mean diameter which was similar to the results obtained by TEM. All results from both TEM and AFM suggested that core particles (capsids) produced in S. cerevisiae possessed dimorphism. 相似文献
105.
A Novel UWB Antenna with Small Side-Leakage 总被引:2,自引:0,他引:2
Wang Xianghui Jiang Yangsheng Wan Wenbing 《International Journal of Infrared and Millimeter Waves》2004,25(9):1325-1335
A successful design for a UWB (ultra-wideband antennas) antenna based on NRD-guide (nonradiative dielectric waveguide) with small side-leakage is presented. The rule of the theoretical selection of its parameters, if NRD-guide is used as the UWB antennas, is studied firstly, then the temporal propagation characteristics of the NRD-guide and the radiation characteristics for an tapered open-ended NRD-guide are calculated by FDTD (finite-difference time-domain) method. 相似文献
106.
107.
Nanocrystalline FeS2 cathode material of lithium cell was synthesized from cheap materials of FeSO4, Na2S2O3, and sulfur by a hydrothermal process. The scanning electron microscopy analysis showed the obtained material was nano-sized,
about 500 nm. The X-ray powder diffraction analysis showed that the synthetic FeS2 material had two phases of the crystalline structure, pyrite and marcasite. The phase of marcasite seems to have no negative
effect on the electrochemical performance of the material. The synthetic FeS2 showed a significant improvement of electrochemical performance for Li/FeS2 cells. 相似文献
108.
109.
研究了水和无水乙醇对萘磺酸掺杂的纳米管结构聚苯胺的电阻率-温度依赖关系的影响(测量温区为80—300K).实验结果表明,水分子和乙醇分子的进入均使样品的电导率升高.利用电荷能量限制隧道模型结合纳米管粉末压片的结构特点,认为样品电阻主要来源于纳米管间接触电阻.水或乙醇分子在纳米管聚苯胺中通过与分子链的相互作用,增加了链间与链上非局域化载流子的数量,增大管间接触界面,降低了载流子的隧穿势垒,进而提高了导电能力.但水和乙醇对样品导电性质影响程度是不同的,主要是因为水分子和乙醇分子在结构和物理化学性质上的不同.
关键词:
聚苯胺
纳米管
电阻率 相似文献
110.