Gap Reduction of C60 and C70 at High Pressure

Abstract

The absorption spectra of the C₆₀ and C₇₀ are measured at pressures up to 19 GPa. The pressure dependence of the fundamental absorption edge position E(P) is determined for both materials. The initial value of dE/dP=?0.15 eV/GPa for the stronger-absorption region of C₆₀ decreases up to ?0.019 eV/GPa at 12 GPa. The weaker-absorption region located near the fundamental absorption edge shifts slower dE/dP=?0.05 eV/GPa. For the C₇₀ the initial value of dE/dP=?0.1 eV/GPa decreases up to ?0.029 eV/GPa at 10 GPa. All pressure induced changes are reversible in this pressure range.     

Intercalation of O2 and its Effect on the Properties of C60 and C70 Solids

Abstract

The intercalation of O₂ in C₆₀ and C₇₀ solids have been studied. In both gas effusion spectra of C₆₀ and C₇₀ powder exposed to O₂ at room temperature, two evolution peaks of O₂ are found near 80 and 150°C. In both C₆₀ and C₇₀ powder, the peak near 80°C does not depend on a heating ratio and the peak near 150°C shifts to higher temperature with the heating ratio. The activation energy on diffusion of O₂ in C₆₀ and C₇₀ solids are ～0.27eV and ～0.46eV, respectively. The number of O₂ intercalated in C₇₀ powder is larger than that in C₆₀ powder. Electron spin density of 02-intercalated C₆₀ film is larger than that of C₇₀ film. The effect on the properties of C₆₀ and C₇₀ solids by the intercalation of O₂ are discussed.     

Optically Detected Magnetic Resonance (ODMR) Study of Isolated C70 Molecules and C70 Films

Abstract

The X-band ODMR of C₇₀ molecules isolated in a toluene/polystyrene (C₇₀:T/PS) glass and C₇₀ films is compared to that of C₆₀. As C₆₀:T/PS, the C₇₀ glasses exhibit only a triplet pattern at g ? 2, clearly due to an exciton delocalized over the molecule; however, it is strikingly asymmetric and narrower, due to the larger size of C₇₀. The ODMR of both C₆₀ and C₇₀ films includes a narrow photoluminescence-enhancing polaron resonance and full- and half- field narrow and broad triplet exciton patterns. As in the glasses, the narrow pattern is due to the exciton delocalized over the molecule and is narrower in C₇₀ The broad pattern is tentatively assigned to a triplet localized on a face adjacent to a neighboring molecule. In contrast to C₆₀, the ODMR of C₇₀ films is detectable up to 295 K, apparently due to the slower rotation.     

Characteristic Interaction of Na-H-C60 and C60 with Hydrogen and Rare Gases

Abstract

Rare gases such as He, Ne and Ar are trapped in the lattice of solid C₆₀ and (NaH)₄C₆₀ under conditions of ambient temperature and pressure. The mass analyzed thermal desorption reveals that rare gases are desorbed above 400K and their desorption amounts are in nonstoichiometric level. Ar2p and Ar3s X-ray photoelectron spectra show large chemical shifts. These results suggest that He, Ne and Ar have charge and are in valence state.     

The Electronic Structures of (PH4)3C60 and (ClO4)3C60

Abstract

We have studied theoretically the electronic structures of a hypothetical donor-type material, (PH₄)₃C₆₀, and a hypothetical acceptor-type material, (ClO₄)₃C₆₀ from first principles by using a full-potential linear-combination-of-atomic-orbitals method based on the density-functional theory within the local-density approximation. It is found that the charge transfer from the PH₄ molecules to the C₆₀ molecules is perfect while the charge transfer from the ClO₄ molecules to the C₆₀ molecules is not perfect. We compare the latter result with the electronic structures of two typical acceptor-type organic conductors, (TMTSF)₂ClO₄ and (TMTSF)₂PF₆, and discuss the differences.     

Crystal Structure of Europium C60 Compounds

Abstract

We have studied crystal structures of europium C₆₀ compounds by high resolution x-ray diffraction measurements. In the systematic synthesis of Eu _x C₆₀ for x (0 ≤ x ≤ 6), two stable phases appear at x = 3 and 6. Eu₆C₆₀ has a bcc structure, which is an isostructure to M ₆C₆₀ (M represents an alkali or alkaline earth metal). Eu₃C₆₀ has a superstructure derived by doubling the fcc pristine C₆₀ crystal along three principal axes. This superstructure comes from an ordering of cation vacancies, which is analogous to Yb_2.75C₆₀.     

C60分子的电子传导和量子流分布研究

利用基于Green's function的tight-binding方法,对由两条原子线电极连接C60分子远端构成的电子传导系统进行了理论计算和数值模拟,得出了入射电子通过C60分子传输到远端点的电子传输谱.其结果揭示了电子传导过程中C60分子的开关特性,并且得出了电子传输能量与分子轨道共振时传输概率峰值的出现及振荡特征.利用Fisher-Lee关系式和量子流密度理论,在传输概率峰值的能量点E=-1.38eV处获得了C60分子内的量子流分布,给出了键量子流的最大值和最小值.对全部分子键上的量子流数值进行了图形模拟,其结果符合量子流动量守恒定律.     

Infrared Spectra and Photoinduced Absorption of C60 Doped Polyhexylthiophene

Abstract

We report the IR spectra and the photoinduced absorption of polyhexylthiophene(PHT) doped with C₆₀. The presence of C₆₀ ^?n anions is observed in the IR spectra by a mode at 1383 cm^?1 and a broad electronic transition at 1.2 eV, while most of the C₆₀ molecules stay neutral. This is indicative that for a small fraction of C₆₀ molecules, charge transfer occurs in the ground state.

The photoinduced absorption spectra display a sharp transition at 1.15 eV peculiar to C₆₀ monoanion, the spectral features change with fullerene concentration. The intensity of the polymer photoinduced bands increases 5-10 times due to photoinduced charge transfer to C₆₀.     

Investigation of the Interaction between C60 and Si Atoms

Abstract

The interaction between C₆₀ and Si atoms was investigated using X-ray photoelectron spec-troscopy (XPS) for the photo-irradiated Si-deposited C₆₀ film in order to establish a method of a synthesis for the Si-coated C₆₀. It was found that the Cls spectrum of the photo-irradiated film contains a peak due to C-Si bonding, while no peak due to C-Si bonding was observed for the film before photo-irradiation. This indicates that Si atoms stick to C₆₀ when using the present method.     

Optical excitations in C60/PPV composites

Charge transfer (CT) and subsequent exciton dissociation are essential for organic donor/acceptor solar cells. We analyze these processes by calculating optical intrachain and CT excitations in a model donor/acceptor system. It is found that the increased electron affinity of low-gap polymers may seriously inhibit the CT efficiency. The consequences for exciton dissociation via tunneling are computed.     

C60 nanocrystals thin film with controlled density

In this paper, C₆₀ nanocrystals thin film with monocrystal thickness was prepared using a liquid-liquid interface. C₆₀ nanocrystals dispersion prepared by reprecipitation method was added to n-hexane/water interface to form a thin film. The film was transferred onto an ITO substrate. Surface morphology of the film was studied by scanning electron microscope (SEM) and atomic force microscope (AFM) measurements. It was found that the density of the film increase with increasing the deposition number of layers with maintaining the monocrystal thickness.     

掺杂C60薄膜的制备及光电特性

在电弧法制备的过程中添加氮气或B2O3粉末,制备了氮、硼替位式掺杂C60.硼掺杂和氮掺杂C60均显示明显的半导体导电特性,且室温电导率比未掺杂C60薄膜提高1～2个量级.用共蒸发的方法制备出了硫掺杂C60薄膜,其电导率～温度曲线中存在一个过渡区,过渡区两侧表现出明显的半导体导电特性,这与掺入C60薄膜中的硫杂质的存在状态有关.其室温电导率比掺杂前提高4个量级,光致发光也明显增强.另外还报道了用离子注入和射频等离子体辅助真空沉积的方法制备掺杂C60薄膜的初步结果.     

C60膜上金刚石的成核与生长形貌研究

本文研究了HFCVD系统中覆盖有C60膜的Si(100)衬底上金刚石的成核与形貌特征.结果表明,C60能大幅度提高金刚石成核密度;C60氢化预处理能大幅度促进金刚石成核,但要合理控制CH4的浓度和预处理时间;随衬底温度的升高,金刚石晶粒由球状变为菜花状聚晶.     

Colloidal structure and stabilization mechanism of aqueous solutions of unmodified fullerene C60

Despite the inability of fullerenes to be directly dissolved in water, there are methods for preparing stable dispersions of fullerenes in water without any particular modifications of the fullerene or addition of stabilizers. The colloidal properties of such systems prepared by replacing the solvent and structural changes in them during coagulation have been studied. The coagulation dynamics has been investigated by spectroscopy and small-angle neutron scattering. The results obtained confirm the colloidal nature of such systems. During coagulation, particles retain a large volume of water around them, an indication of interaction between fullerene and water during solution stabilization.     

Preparation and Properties of One-Dimensional C60 Nano-Structure in a Zeolite FSM-16

Abstract

C₆₀ molecules were embedded in the pores of a zeolite FSM-16 by using a liquid phase method. The shift of photoluminescence spectra of C₆₀ solid embedded in FSM-16 was discussed using data of ESR, PDS and SAXS.     

Fullerenes C20-C60: Combinatorial types and symmetry point groups

A series of fullerenes from C₂₀ to C₆₀ (a total of 5770) is obtained and their characterization in terms of symmetry point groups is performed for the first time. The most symmetric forms with the sixth and higher orders of automorphism groups (a total of 80) are represented in the Schlegel projection onto one of the faces. It is noted that, among the 5770 fullerenes obtained, only 12 fullerenes exhibit noncrystallographic symmetry.     

Complex Refractive Indices of Zinc Phthalocyanine,Fullerene C70, and Their Mixed Composition

Crystallography Reports - Spectral properties of organic semiconductors (zinc phthalocyanine (ZnPc), fullerene C70, and their mixture (ZnPc : C70) have been studied. The...     

硅基片上C60薄膜的生长特性和结构特性研究

本文采用物理气相沉积(PVD)法在不同预处理的Si(100)衬底上沉积了C60膜,并利用AFM和XRD研究了其生长特征和结构特性.结果表明,C60膜的生长特性不仅与C60分子的移动性和衬底的表面性质等多种因素有关,而且还受衬底表面先前淀积的C60膜的有序性影响;H-Si(100)面上生长的C60膜与普通抛光Si(100)面上的相比更具有*2111*3取向.     

Static Disorder in Hexagonal Crystal Structures of C60 at 100 K and 20 K

C₆₀ · 2C₈H₁₀ (100 K): hexagonal space group P6₃, a = 23.694(4), c = 10.046(2) Å, V = 4884(2) ų, D_x = 1.903 g cm⁻³, Z = 6, F(000) = 2856, γ(CuKa) = 1.54178 Å, μ = 0.84 mm⁻¹. C₆₀ · 2C₈H₁₀ (20 K): hexagonal space group P6₃, a = 23.67(1), c = 10.02(1) Å, V = 4862(6) ų, D_x = 1.912 g cm⁻³, Z = 6, F(000) = 2856, γ(CuKa) = 1.54178 Å, μ = 0.84 mm⁻¹. The structures were determined by Patterson syntheses and rigid-body refinements. The C₆₀ molecules show two orientations with one molecular centre in common. The solvent molecules are disordered too. Static disorder could not be overcome or influenced by cooling down. A coordination number of 10 was found for the fullerene molecules.     

In Situ FT-IR Study of an Electron-Beam Induced Reaction of C60 Film

Abstract

The structural modification induced by electron-beam (EB) in a C₆₀ film and its kinetics have been studied using in situ high-resolution FT-IR spectroscopy. Similar to studies on photoirradiated K_xC₆₀ fim, was found that a coalescence reaction between adjacent C₆₀ molecules takes place. In order to investigate the interaction between an incident electron and Cgg molecules, the time-dependence of the amounts of C₆₀ on the EB irradiation was examined. It was found that the reaction rate exhibits a linear dependence on the reactant concentration and nonlinear dependence on the incident current.