SiC bonding in ( C 60 ) n Si m clusters

This paper deals with a new type of SiC bonding where silicon atom seems to bridge C₆₀ molecules. We have studied films obtained by deposition of (C₆₀)_nSi_m clusters prepared in a laser vaporization source. Prior deposition, free ionized clusters were studied in a time-of-flight mass spectrometer. Mixed clusters (C₆₀)_nSi_m were clearly observed. Abundance and photofragmentation mass spectroscopies revealed the relatively high stability of the (C₆₀)_nSi _n ⁺ , (C₆₀)_nSi _{n - 1} ⁺ and (C₆₀)_nSi _{n - 2} ⁺ species. This observation is in favor of the arrangement of these complexes as polymers where the C₆₀ cages may be bridged by a silicon atom. Free neutral clusters are then deposited onto substrate making up a nanogranular thin film (≃ 100 nm). The film is probed by Auger and X-ray photoemission spectroscopies, but above all by surface enhanced Raman scattering. The results suggest an unusual chemical bonding between silicon and carbon and the environment of the silicon atom is expected to be totally different from the sp³ lattice: ten or twelve carbon neighbors might surround silicon atom. The bonding is discussed to the light of the so-called fullerene polymerization as observed for pure fullerite upon laser irradiation. This opens a new route for bridging C₆₀ molecules together with an appreciable energy bonding, since the usual van der Waals bonding in fullerite could be replaced by an ionocovalent bond. Such an assumption must be checked in the future by XAS and EXAFS experiments. Received 15 November 2000     

K(m,n)方程与B(m,n)方程的无穷序列新精确解

进一步研究了辅助方程法,给出了几种常用辅助方程的新解、B(a|¨)cklund变换和解的非线性叠加公式.在此基础上,根据m和n的不同情况,利用变换和直接积分相结合的方法,获得了K(m,n)方程与B(m,n)方程的无穷序列新精确解.这里包括无穷序列光滑孤立子解、无穷序列尖峰孤立子解和无穷序列紧孤立子解.     

The reactions N14(n, α)B11 and N14(n,t)C12 observed with a gridded ionization chamber

The cross sections for the reactions N¹⁴(n, α)B¹¹ and N¹⁴(n, t)C¹² have been measured in the neutron energy range 4.0 to 6.4 MeV and at 2.5 MeV. Mono-energetic neutrons were produced in the D(d, n) He³ reaction using a gas target. The (n, α) and (n, t) disintegrations were detected in a gridded ionization chamber filled with an argonnitrogen mixture. The response of the chamber under different operation conditions is described. The excitation functions, measured with a neutron energy resolution of 40 to 50 keV, are given for theα ₀ group from the N¹⁴(n,α)B¹¹ reaction over the entire neutron energy range and for theα ₁ group and the t₀ group from N¹⁴(n, t) C¹² for neutron energies above 4.3 and 5.6 MeV, respectively.     

C(60) molecular bearings and the phenomenon of nanomapping

Inspired by suggestions of C(60) "nanobearings," we have measured sliding friction on fixed and rotating C(60) layers to explore whether a lubricating effect is present. We refer to this general phenomenon as "nanomapping," whereby macroscopic attributes are mapped in a one on one fashion to nanoscale entities. Our measurements are the first to directly link friction to a documented molecular rotation state. Friction is, however, observed to be higher for rotating layers, in defiance of the ball-bearing analogy. Thus, no direct mapping of macro- to nanoscale attributes can be established.     

Conservation Laws of K(m, n) and mK(m, n) Equations

Based on the rank analysis method, algorithmization idea, and symbolic computation, in this paper we have presented a method to construct the conservation laws for nonlinear evolution equations. The polynomial conservation laws for K (n 2, n) equations and mnK(m, n) equations are found by using of this approach and some new results have been obtained.     

Conservation Laws of K（m,n） and mK（m,n） Equations

Based on the rank analysis method, algorithmization idea, and symbolic computation, in this paper we have presented a method to construct the conservation laws for nonlinear evolution equations. The polynomial conservation laws for K (n 2,n) equations and mK (m,n) equations are found by using of this approach and some new results have been obtained.     

Cross-section measurement for Ni（n,x）^58（m＋g）Co, Ni（n, x）^60mCo, Ni（n,x）^61Co and Ni（n,x）^62mCo reactions induced by neutrons around 14 MeV

The cross sections of Ni(n,x)~(58(m g))Co,Ni(n,x)~(60m)Co,Ni(n,x)~(61)Co and Ni(n,x)~(62m)Co reactions induced by neutrons around 14 MeV were measured in this work and calculated by a previously developed formula in this work.The neutron flux was determined using the monitor reaction ~(27)Al(n,α)~(24)Na and the neutron energies were measured with the method of cross-section ratios for ~(90)Zr(n,2n)~(89)Zr to ~(93)Nb(n,2n)~(92m)Nb reactions.     

(GaP)n,(GaP)+n和(GaP)-n(n=1～6)团簇的几何结构与稳定性

用密度泛函理论(DFT)的B3L YP方法,在6-31G*水平上,对(GaP)n,(GaP)n 和(GaP)n-(n=1~6)团簇的几何结构、红外光谱和热力学稳定性及电子态进行了研究.得到了(GaP)n,(GaP)n 和(GaP)n-(n=1~6)团簇的基态结构.结果表明:团簇的电荷状态对簇合物的结构有影响;在(GaP)n,(GaP)n 和(GaP)n-(n=1~6)团簇中,n=3,5团簇的基态结构较稳定.     

9Be(3He,n)11C and 11B(3He,n)13N Reactions at Energies below Coulomb Barrier

Angular distributions have been measured for ⁹Be(³He, n)¹¹C and ¹¹B(³He, n)¹³N reactions for the neutron group leading to the ground state at E_3He = 0.90, 1.00, 1.20, 1.40 MeV and 1.70, 1.90 MeV respectively. To fit the experimental data, the theory of two nucleon stripping reactions below the Coulomb barrier has been considered. Taking Coulomb distorted wave functions for the interacting particles in the initial channel, a closed analytical form for the differential cross-section has been obtained. The other two cases using the plane wave Born approximation and the distorted wave Born approximation are also applied to the experimental data. The agreement between the Coulomb distorted wave calculations and the experimental data is better than with the PWBA and DWBA. The spectroscopic factors are extracted by fitting the experimental data with the theoretical calculations.     

Quantum loop current in a C(60) molecular bridge

The existence of a quantum loop current in a C(60) molecular bridge is predicted using the Green's function method. The model for the molecular bridge consists of a C(60) molecule attached to one-dimensional conductive electrodes. It is shown that the loop current is related to the degeneracy of the energy levels of the C(60) molecule. Specific to this loop current is its magnitude which is much larger than that of the source-drain current. The associated magnetic moment also shows certain remarkable features such as its inversion with the energy across the molecular levels and the restriction of its direction onto a single plane.     

Generalization of the N(p)N(n)N(p)N(n) scheme and the structure of the valence space

The N(p)N(n) scheme, which has been extensively applied to even-even nuclei, is found to be a very good benchmark for odd-even, even-odd, and doubly-odd nuclei as well. There are no apparent shifts in the correlations for these four classes of nuclei. The compact correlations highlight the deviant behavior of the Z = 78 nuclei and are used to deduce effective valence proton numbers near Z = 64 as well as to study the evolution of the Z = 64 subshell gap.     

Effect of donor (I) or acceptor (N) co-doping on Cr doped (ZnTe)12 clusters

We report a first principles density functional theory in the local spin density approximation study of the energetics and the magnetism of (ZnTe)₁₂ clusters, doped with the transition metal Cr along with impurities of either acceptor or donor types, and their effect on the energetics and local as well as global magnetism in the clusters.     

C_(60)O_n(n=2,3)异构体的合成和理论计算研究

本文通过臭氧氧化C60得到C60On的混合物,反相高压液相色谱图表明有两种C60O2异构体和两种C60O3异构体,分别标记为C60O2(I)、C60O2(II)和C60O3(I)、C60O3(II),同时得到了它们的UV-vis谱图。为了确定它们的最可能结构,我们对四种最可能的C60O2异构体和九种最可能的C60O3异构体进行了理论计算,从能量、偶极矩、电子光谱方面进行了系统研究,提出了实验得到的C60On(n=2,3)的稳定结构。计算结果与实验吻合良好。     

Nuclear Magnetic Resonance Spectra of Polyhydroxylated Fullerene C60(OH)n

Polyhydroxylated fullerene C₆₀(OH)_n (with an estimated number of hydroxyl groups n = 38–44) synthesized from pure fullerene by mixing a benzene solution of C₆₀ with a NaOH aqueous solution in the presence of a catalyst was studied with ¹H and ¹³C solid-state nuclear magnetic resonance. Possible features of the structure of a molecule shell were revealed from ¹H NMR data. The ¹³C spectrum showed a peak splitting with an increase in temperature, which is probably due to fullerenol isomers.

     

NMR study of acceptor doped fullerenes (MF6)2C60 (M=As,Sb)

We report on ¹³C and ¹⁹F nuclear magnetic resonance study of acceptor doped fullerenes showing p-type semiconductor behavior. Room temperature ¹⁹F spectra are characteristic for rotating (MF₆⁻) complexes, while the ¹³C spectra show that fullerene molecules are not mobile at temperatures up to 365 K. Reduction of the ¹³C chemical shielding anisotropy of (MF₆)₂C₆₀ in comparison to solid C₆₀ is assigned to the charge transfer between C₆₀ and intercalated species.     

Antiferromagnetic ordering driven by the molecular orbital order of C(60) in alpha'-tetra-kis-(Dimethylamino)-ethylene-C(60)

We have studied the ground state of a fullerene-based magnet, the alpha;{'}-phase tetra-kis-(dimethylamino)-ethylene-C60 (alpha'-TDAE-C(60)), by electron spin resonance and magnetic torque measurements. Below T(N) = 7 K, nonparamagnetic field dependent resonances with a finite excitation gap (1.7 GHz) are observed along the a axis. Strong enhancement in their intensity as temperature is decreased is inconsistent with excitation from a singlet state, which had been proposed for the alpha'-phase ground state. Below T(N), nonquadratic field dependence of the magnetic torque signal is also observed in contrast to quadratic field dependence in the paramagnetic phase. The angle-dependent torque signals below T(N) indicate the existence of an anisotropy of the bulk magnetization. From both experiments, we propose an antiferromagnetic ground state driven by the cooperative orientational ordering of C(60) in the alpha'-TDAE-C(60).     

Neutron polarizations from the9Be(d,n)10B and11B(d,n)12C reactions

Neutron polarization angular distributions were measured for the⁹Be(d,n)¹⁰B and¹¹B(d,n)¹²C reactions for deuteron energies of 5.47 and 5.34 MeV, respectively. Using neutron time-of-flight techniques, polarizations to eight states in¹⁰B and to six states in¹²C have been measured. Neutron polarization energy excitation functions for both reactions were measured for deuteron energies from 3.0 to 5.5 MeV in 0.25 MeV steps at 30° (lab). Distorted wave method calculations carried out to compare theoretical calculations against experimental results were not in good agreement with the data.     

Compare the photocatalytic properties of nanocomposites with tandem n (AgBr)-n (Ag2CO3) and p (AgCl)-n (Ag2CO3) heterojunctions

In this work, Ag₂CO₃ nanoparticles (NPs) (as a n-type semiconductor) incorporated in mordenite zeolite (MOR) by a facile precipitation method. Silver halides, AgCl (as a p-type semiconductor) and AgBr (as a n-type semiconductor), with different weight percentage (20%, 40% and 50%) were coupled into Ag₂CO₃-MOR nanocomposite (NC) and producing a series of novel AgCl/Ag₂CO₃ (p-n heterojunction)-MOR and AgBr/Ag₂CO₃ (n-n heterojunction)-MOR NCs. The effects of silver halides on the Ag₂CO₃–MOR catalyst for the photocatalytic degradation of methyl blue (MB) under visible light irradiation have been investigated. The structure, composition and optical properties of NCs were investigated by UV–Visible diffuse reflectance spectroscopy (UV–Vis DRS), X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM). The prepared AgX/Ag₂CO₃-MOR NCs with the optimal content of AgX (50 wt%) indicated higher photocatalytic activity than that of the Ag₂CO₃-MOR and Ag₂CO₃. The cycle experiments on the heterojuctions NCs indicated that photocatalytic stability of AgBr/Ag₂CO₃-MOR NC was more than AgCl/Ag₂CO₃-MOR NC in all cycles. On the basis of the experimental results, a possible mechanism for the enhanced photocatalytic activity and photoinduced stability of silver compounds was proposed.