Electronic structure and electrical transport characteristics of C60, 2C60 and 4C60 fullerene molecules

The extended Hückel method and the Green’s function method were used to calculate the electronic structure and electrical transport of Au electrode-C₆₀, 2C₆₀ or 4C₆₀ fullerene-Au electrode systems. Furthermore, their electronic structure and electrical transport characteristics were compared and analyzed. The results show that (i) owing to the contact with the Au electrodes, the C₆₀, 2C₆₀ and 4C₆₀ molecules change in their electronic structures significantly, and their energy gaps between LUMO and HOMO are narrow; (ii) the bonding between C₆₀, 2C₆₀ or 4C₆₀ fullerene and Au electrodes is partially covalent and partially electrovalent; and (iii) the conductance of the three fullerenes conforms to the order of C₆₀ > 2C₆₀ > 4C₆₀. Translated from Journal of Materials Science and Engineering, 2006, 24(1): 53–56 [译自: 材料科学与工程学报]     

About the iron carbonyl complex with C60 and C70 fullerene: [Fe(CO)4(η2C60)] and [Fe(CO)4(η2C70)]

The iron carbonyl complexes with C₆₀ and C₇₀ fullerenes were synthesized in high yield by photochemical irradiation of solutions of C₆₀ and C₇₀ in presence of Fe(CO)₅. The resulting complexes were studied by FT-IR, Raman and electronic absorption spectroscopy. All the data are consistent with the structures [Fe(CO)₄(η²C₆₀)] and [Fe(CO)₄(η²C₇₀)]. The thermal stability and decomposition reaction of the two complexes were studied by TGA-FTIR and Differential Scanning Calorimetry (DSC). Both complexes decompose at moderate temperatures releasing CO and Fe(CO)₅ in the vapor phase leaving a residue of metallic iron and free C₆₀ or C₇₀ fullerenes that can be recovered by solvent extraction of the decomposition residue.     

煤基富勒烯电子性质和非线性光学性质的密度泛函理论研究

使用基于密度泛函理论的量子化学计算方法对煤基富勒烯进行了研究。重点关注由氮和硅掺杂C₆₀形成的杂化富勒烯结构。计算了这些杂化富勒烯的几何结构、稳定性、电子结构、介电常数和非线性光学性质并与未掺杂富勒烯相比较。研究发现,氮掺杂富勒烯失电子能力增强而硅掺杂富勒烯得电子能力增强。此外,根据计算结果可知掺杂可使富勒烯介电常数增大。对煤基富勒烯的非线性光学性质进行了探讨,发现氮掺杂富勒烯和硅掺杂富勒烯均具有比未掺杂富勒烯明显大的三阶非线性光学系数。     

过渡金属硫化物类富勒烯的研究

过渡金属硫化物类富勒烯，由于其独特的分子结构、电子结构及电、磁学性质和潜在的应用前景，因而成为当前富勒烯研究的一个热点课题。该文对过渡金属硫化物类富勒烯的研究进行了综述。     

富勒烯碳笼材料的制备与研究

本文介绍了用交流碳弧法制备富勒烯材料的工艺。对材料的紫外光谱和红外光谱进行了测量和分析,讨论了氦气压以及电流电压对材料产率的影响,指出氦气压在２４×１０３～３３×１０３Ｐａ之间,电流１００Ａ,电压１８Ｖ时,Ｃ６０的产率较高。     

富勒烯衍生物的合成方法初探

本文探讨了含富勒烯聚酯的合成方法。通过尺寸排阻色谱法测定了聚合物的摩尔质量。     

C_(60)/花生酸混合LB膜Ⅲ.LB膜的酸、碱稳定性

LB膜的环境稳定性是它们实际应用中常见的问题。实验发现盐酸蒸汽和氨蒸汽对C60 /AA混合LB膜的周期结构都有影响 ,使衍射峰的强度逐步减弱和等同周期有所减小。酸碱处理甚至会在C60 /AA混合LB膜中造成C60 微晶的形成。     

掺富勒烯SiO2气凝胶的制备与发光性质研究

本文利用溶胶－凝胶工艺成功地将富勒烯掺入了ＳｉＯ２气凝胶的纳米孔洞中，在Ａｒ＾＋离子激光激发下，观察到了很强的可见光发射，对该现象作了初步的解释。