Hydrophobisation of activated carbon fiber and the influence on the adsorption selectivity towards carbon disulfide

The hydrophobisation of commercial viscose-based activated carbon fiber (ACF) was obtained by grafting vinyltrimethoxysilane (vtmos) on the ACF surface, to improve ACF's adsorption selectivity towards carbon disulfide (CS₂) under highly humid condition. The characterizations, including FTIR, ²⁹Si NMR, adsorption/desorption of nitrogen, thermal analysis and elemental analysis, revealed that the vtmos was successfully grafted onto the ACF surface, even though the hydrophobisation caused a partial filling of the porosity along with a slight decrease in the surface area. The efficiency of the hydrophobisation modification was evaluated by both equilibrium and dynamic adsorption experiment of water vapor and CS₂. The equilibrium adsorption results indicated that the hydrophobisation modifications accounted for a decrease of both the amounts of water and CS₂ adsorbed by the hydrophobised ACF. However, dynamic adsorption found that the adsorption performance was improved under highly humid condition, evidencing that hydrophobisation improved the hydrophobicity of the ACF surface and enhanced the adsorption selectivity towards CS₂.     

Investigation of the <Emphasis Type="Italic">n-γ</Emphasis> angular correlation in the <Superscript>9</Superscript>Be(α,nγ)<Superscript>12</Superscript>C reaction by analysis of the 4.44-MeV <Emphasis Type="Italic">γ</Emphasis>-line shape

A method for evaluating the angular correlation function (ACF) of neutrons and γ quanta produced in nuclear reactions has been developed based on the analysis of Doppler-broadened γ-line shapes. The lineshape analysis of the 4.44-MeV_γ line from the ⁹Be(α, nγ)¹²C reaction at E _α = 4.03 MeV and θ_γ = 0°, 15°, 30°, ..., 150°, taking into account the angular n and γ angular distributions, made it possible to unambiguously fit the ACF parameters. In view of the importance of this reaction for γ diagnostics of plasma, the γ-line shape has been calculated for the monoenergetic component of isotropic α-particle distribution, characteristic of d-t experiments.     

Dynamics of CO2 molecules confined in the micropores of solids as studied by C NMR

The pressure and temperature dependence of ¹³C NMR of CO₂ adsorbed in several porous materials was measured. For CO₂ in activated carbon fiber (ACF), the spectrum observed in the pressure range from 0 to 10 MPa consisted of two lines. A very sharp peak at δ = 126 ppm was attributed to free CO₂ gas and a broad peak at δ = 123 ppm was attributed to confined CO₂ molecules in the micropores of ACF, although CO₂ in microporous materials such as zeolites and mesoporous silica, gave only a single peak attributed to free CO₂ gas. In the low-pressure region, the peak at δ = 123 ppm shifted to 118 ppm and a very broad peak with a line width of about 200 ppm appeared. This indicates that there are two kinds of CO₂ molecules confined in ACF with different rates of molecular motion: one is undergoing isotropic rotation and the other is undergoing anisotropic motion, which rotates around an axis tilted by 30° from the molecular axis. This implies that small pockets with a characteristic diameter exist on the surface of the ACF micropore.     

Influence of anisotropic fluctuations on the electrical resistivity in uniaxial ferromagnetic metals near Tc

The generalized Ornstein-Zernike correlation function appropriate to a uniaxial ferromagnet is applied to study the influence of anisotropic fluctuations on the electrical resistivity in uniaxial ferromagnetic metals near T_c. It is shown that both the anisotropic fluctuations and the Fermi surface anisotropy contribute on the same footing to an anisotropy of the spin-fluctuation resistivity. The results are consistent with those obtained for the isotropic system in the same approximation and may be useful for interpreting recent spin-fluctuation resistivity data obtained experimentally for uniaxial systems.     

EPR studies of the X-ray irradiated dithiophosphate salts

The powder EPR spectra of some ammonium and potassium salts of dithiophosphoric acid, (RO)₂P(S)SH, irradiated with X-rays at 77 K have been recorded and analyzed in respect to their distinguishable EPR-active components. In general each EPR spectrum is a superposition of isotropic and anisotropic features from a number of carbon- and phosphorus-centered radicals. Whereas carbon-centered radicals are practically isotropic the phosphorus-centered species exhibit threefold anisotropy with a large (700–800 G) isotropic³¹P hyperfine splitting. The identification of the latter is based on the magnitudes of the³¹P splitting as well as on the phosphorous 3p/3s spin densities ratio. The experimentally obtained EPR parameters of the studied radicals are refined using computer simulation procedure.     

Identification of the vanadyl terminated V2O3(0 0 0 1) surface by NEXAFS spectroscopy: A combined theoretical and experimental study

In this work we present results from density functional theory (DFT) cluster studies to determine polarization-dependent near edge X-ray absorption fine structure (NEXAFS) spectra of the vanadyl termination of the V₂O₃(0 0 0 1) surface. The oxygen K edge spectra are calculated for the relaxed surface geometry where geometric parameters are taken from recent periodic DFT work. A detailed analysis of energetic peak positions, relative intensities, and final state orbitals allows a deep understanding of the complex angular dependence of the calculated spectra on the basis of the local binding environment of differently coordinated oxygen species. Further, our theoretical analysis can assign and explain various spectral details in the experimental NEXAFS data, in particular, those related to vanadyl oxygen. This allows us to support the experimentally suggested vanadyl surface termination.     

13C NMR and Fukui function analysis on C82 hydroxylated fullerene through density functional theory

Density functional theory calculations were performed on C₈₂ hydroxylated fullerene. B3LYP and PBE0 functionals with 6-31G** basis set were utilised to get chemical shieldings, chemical shifts and the isotropic Fermi contact coupling on each atomic site. A relation between nuclear magnetic resonance (NMR) properties and reactivity of the molecule, obtained through the electronic Fukui function, was observed. Interestingly, the most stable configurations of OH groups adsorbed on C₈₂ surface were obtained when the hydroxyl groups are adsorbed on deshielded (isotropically and anisotropically) sites. For open-shell systems, a relation between isotropic Fermi contact, spin density and average Fukui function was found, that is, sites with a great amount of Fukui function (analytical and the one obtained through finite difference) and spin density have the largest isotropic Fermi contact coupling data. With the adsorption of the first hydroxyl molecules, spin densities and Fukui functions show preferential sites to adsorb the following OH groups close to previously adsorbed. Additionally, theoretical spectra of chemical shifts of C₈₂(OH)_n (n = 1, 2, 3 and 4) were obtained and they were compared with experimental reports, getting a reasonable comparison. For example, regarding ¹³C NMR chemical shifts obtained in C₈₂OH molecule, 80 ppm (B3LYP) and 79 ppm (PBE0) were calculated on hydroxylated carbon, which is in good agreement with experimental results in C₆₀ fullerols.     

Electrical and optical properties of nanowires based solar cell with radial p-n junction

In our studies the absorption, transmittance and reflectance spectra for periodic nanostructures with different parameters were calculated by the FDTD (Finite-Difference Time-Domain) method. It is shown that the proportion of reflected light in periodic structures is smaller than in case of thin films. The experimental results showed the light reflectance in the spectral range of 400–900 nm lower than 1% and it was significantly lower in comparison with surface texturing by pyramids or porous silicon.Silicon nanowires on p-type Si substrate were formed by the Metal-Assisted Chemical Etching method (MacEtch). At solar cells with radial p-n junction formation the thermal diffusion of phosphorus has been used at 790 °C. Such low temperature ensures the formation of an ultra-shallow p-n junction. Investigation of the photoelectrical properties of solar cells was carried out under light illumination with an intensity of 100 mW/cm². The obtained parameters of NWs' solar cell were I_sc = 22 mA/cm², U_oc = 0.62 V, FF = 0.51 for an overall efficiency η = 7%. The relatively low efficiency of obtained SiNWs solar cells is attributed to the excessive surface recombination at high surface areas of SiNWs and high series resistance.     

聚片多畴LiNbO3晶体的倍频效应

通过对聚片多畴LiNbO₃晶体倍频效应的研究,从实验上对Bloembergen等人所提出的准位相匹配理论进行了细致的检验。首先运用Maker条纹法在实验上直接测定了单畴LiNbO₃晶体在e^ω·e^ω→e^2ω非位相匹配下的倍频光强,并采用角度扫描和温度扫描方法,以获得满足准位相匹配条件时的不同片数的聚片多畴晶体的最大倍频强度,从而验证了聚片多畴晶体倍频相对光强与片畴数N成平方关系。在N<200时,取得 关键词：     

An equation of state of a carbon-fibre epoxy composite under shock loading

An anisotropic equation of state (EOS) is proposed for the accurate extrapolation of high-pressure shock Hugoniot (anisotropic and isotropic) states to other thermodynamic (anisotropic and isotropic) states for a shocked carbon-fibre epoxy composite (CFC) of any symmetry. The proposed EOS, using a generalised decomposition of a stress tensor [A.A. Lukyanov, Int. J. Plasticity 24, 140 (2008)], represents a mathematical and physical generalisation of the Mie-Grüneisen EOS for isotropic material and reduces to this equation in the limit of isotropy. Although a linear relation between the generalised anisotropic bulk shock velocity U_s ^A and particle velocity u_p was adequate in the through-thickness orientation, damage softening process produces discontinuities both in value and slope in the U_s ^A-u_p relation. Therefore, the two-wave structure (non-linear anisotropic and isotropic elastic waves) that accompanies damage softening process was proposed for describing CFC behaviour under shock loading. The linear relationship U_s ^A-u_p over the range of measurements corresponding to non-linear anisotropic elastic wave shows a value of c₀ ^A (the intercept of the U_s ^A-u_p curve) that is in the range between first and second generalised anisotropic bulk speed of sound [A.A. Lukyanov, Eur. Phys. J. B 64, 159 (2008)]. An analytical calculation showed that Hugoniot Stress Levels (HSLs) in different directions for a CFC composite subject to the two-wave structure (non-linear anisotropic elastic and isotropic elastic waves) agree with experimental measurements at low and at high shock intensities. The results are presented, discussed and future studies are outlined.     

Inelastic neutron scattering study and Hubbard model description of the antiferromagnetic tetrahedral molecule Ni<Subscript>4</Subscript>Mo<Subscript>12</Subscript>

The tetrameric Ni(II) spin cluster Ni₄Mo₁₂ has been studied by INS. The data were analyzed extensively in terms of a very general spin Hamiltonian, which includes antiferromagnetic Heisenberg interactions, biquadratic 2-spin and 3-spin interactions, a single-ion magnetic anisotropy, and Dzyaloshinsky-Moriya interactions. Some of the experimentally observed features in the INS spectra could be reproduced, however, one feature at 1.65 meV resisted all efforts. This supports the conclusion that the spin Hamiltonian approach is not adequate to describe the magnetism in Ni₄Mo₁₂. The isotropic terms in the spin Hamiltonian can be obtained in a strong-coupling expansion of the Hubbard model at half-filling. Therefore detailed theoretical studies of the Hubbard model were undertaken, using analytical as well as numerical techniques. We carefully analyzed its abilities and restrictions in applications to molecular spin clusters. As a main result it was found that the Hubbard model is also unable to appropriately explain the magnetism in Ni₄Mo₁₂. Extensions of the model are also discussed.     

The turbulence of capillary waves on the surface of liquid hydrogen

It is experimentally demonstrated that the surface excitation of liquid hydrogen at a low frequency results in the turbulent mode in a system of capillary waves. The experimental results are in good agreement with the theory of weak wave turbulence. The pair correlation function of the surface deviations is described by the exponential function ω^m. The exponent m decreases in magnitude from m=?3.7±0.3 to ?2.8±0.2 when the pumping at a single resonant frequency changes to broadband noise excitation. Measurements are made of the dependence of the boundary frequency ω_b of the upper edge of the inertial range in which the Kolmogorov spectrum is formed on the wave amplitude η_p at the pumping frequency. It is demonstrated that the obtained data are well described by a function of the form ω_b∝η _p ^4/3 ω _p ^23/9 .     

Ultraviolet quasi-phase-matched second harmonic generation in surface periodically poled lithium niobate optical waveguides

The compatibility of low concentration (α-phase) proton exchange channel waveguides with electric field surface periodic poling of congruent lithium niobate (SPPLN) crystals has been experimentally demonstrated. With such waveguides, we obtained ultraviolet second harmonic generation (SHG) by first order quasi-phase-matching (QPM), a result made possible by the fabrication, on Z-cut LN crystals, of periodic structures with a pitch down to 750 nm. Nonlinear copropagating QPM-SHG measurements have been carried out on such structures. The pump source was a Ti:sapphire laser with a tunability range of 700–980 nm and a 40 GHz linewidth. We have measured UV continuous wave light at 390 nm by means of a lock-in amplifier and a photodiode with an enhanced response in the UV. The measured conversion efficiency was about 1% W^?1 cm^?2.     

Systematic calculations of rotational spectra of normal and substituted (18O in place of 16O) ozone molecules

The pure rotational spectra of ¹⁶O₃ and of the five molecules obtained through isotropic substitutions of every ¹⁶O by ¹⁸O have been studied in the range λ = 20 mm to λ = 0.75 mm. For each substituted form, the determination of molecular constants allows the computation of all of the absorption frequencies. The intensities and uncertainties in the calculated frequencies have also been evaluated. The table of ¹⁶O₃ absorption frequencies is listed up to λ = 0.3 mm (ν = 1000 GHz).     

Application of the surface ionization for the detection of secondary particles in the secondary-ion mass spectrometry (SIMS)

A method for postionization in the course of ion sputtering that is based on surface ionization of the sputtered particles is developed. The estimations show that the method allows a significant increase in the sensitivity of the secondary-ion mass spectrometry for several elements. Nonadditive increase in the sputtering coefficient of indium is experimentally studied using the surface-ionization method of postionization when the number of atoms in projectile clusters Bi _m ⁺ (m = 1–7) increases at energies 2–10 keV. Such a scheme for the detection of neutral particles can be used in alternative methods for the surface analysis, in particular, laser evaporation of surface and electron-stimulated desorption.     

Single-valued determination of second-order nonlinear susceptibilities by quarter-wave-plate rotation

We present a new technique to determine the complex-valued tensor components of the nonlinear surface susceptibility _s ⁽²⁾ of isotropic adsorbate layers. It is based on a change of the state of the fundamental polarization by rotation of a quarter-wave plate. We verify the theoretical predictions by measurements on a Langmuir-Blodgett film of a highly nonlinear hemicyanine dye in total reflection geometry. The obtained second-harmonic rotation pattern is analyzed in Fourier components, which are related to the absolute value and relative phase of the tensor components of the surface susceptibility. We compare the obtained results with separate measurements in which a half-wave plate is used to rotate the fundamental polarization. Our results are confirmed by an additional interference experiment. The method presented here allows the single-valued determination of _s ⁽²⁾ with measurements at only one angle of incidence, in contrast to the half-wave-plate technique.     

Generation of the second optical harmonic in porous-silicon-based structures with a photonic band gap

Efficient generation of the second optical harmonic is observed experimentally in a multilayer periodic structure based on porous silicon. The second-harmonic signal is much stronger than the signal from a uniform porous silicon layer or from the single-crystal silicon substrate. The orientational dependence of the second-harmonic signal is isotropic. The second-harmonic intensity as a function of the reflection angle reaches a maximum in the direction corresponding to the minimum phase detuning in a multilayer periodic structure. Pis’ma Zh. éksp. Teor. Fiz. 69, No. 4, 274–279 (25 February 1999) Deceased.     

Studying the elastocaloric effect in a fast-quenched Ti<Subscript>2</Subscript>NiCu ribbon with the shape memory effect

The elastocaloric effect (ECE) in fast-quenched Ti₂NiCu ribbon under the periodic action of tensile force is studied experimentally. The ECE is measured as a function of relative elongation and the frequency of cycles in the range of 0.2 to 4 Hz. The maximum measured ECE in the alloy is 9.4 K under a mechanical load of 300 MPa at a relative deformation of 1%, frequencies of 0.2 to 0.5 Hz, and a temperature of 67°C. The specific power of the ribbon is estimated; it reaches its maximum at a frequency of f = 4 Hz, corresponding to W = 10 W g^?1. The possible practical use of Ti₂NiCu alloy for elastocaloric cooling is discussed.     

Diffraction of IR radiation by ultrasound in tellurium single crystals

The optic, acoustic, and acousto-optic properties of tellurium single crystals are considered to analyze the possibilities of applying this material in acousto-optic filters to control mid- and far-IR radiation. The results of measuring the optic and acousto-optic parameters of a tellurium crystal are reported. The isotropic and anisotropic light diffraction by ultrasound in the crystal is investigated. The wide-aperture geometry of interaction in tellurium is implemented and an acousto-optic figure of merit M ₂ of a tellurium crystal exceeding 10 × 10^?15 s³ g^?1 is experimentally obtained.