Photoelectron angular distributions from H2 and D2

The photoelectron asymmetry parameters of H₂ and D₂ have been measured using synchrotron radiation over the photon energy range 19–27 eV. The results are compared with previous measurements and several theoretical calculations. A few of the theoretical calculations are in good agreement with experiment, but most of them predict asymmetries which are too large. Essentially identical β values were measured for H₂ and D₂. This result is discussed in terms of differences which could arise due to vibrational and rotational structure.     

Mass spectroscopy of HCN-laser plasmas with H2 and D2

Mass spectroscopic studies reveal the role of H₂ in HCN-laser plasma. This is confirmed by laser experiments with different gas mixtures containing H₂ and D₂.     

The absorption cross sections of H2 and D2 from 180 to 780 Å

The absolute photoabsorption cross sections of H₂ and D₂ have been measured photoelectrically in the wavelength region from 180 to 780 Å using synchrotron radiation. At photon wavelengths shorter than 650 Å, the absorption cross section was found to be structureless and to decrease montonically with decreasing wavelength. In this spectral region, both gases have nearly equal absorption cross sections, varying only within the experimental error. At photon wavelengths greater than λ 650 Å, structure is evident in the cross section of both gases and presumably corresponds to the Rydberg States reported by various authors.     

Infrared-induced temperature distributions of solid D2 ices

A specific-wavelength infrared (IR) light (λ=3140 nm) was irradiated into a solid D₂ ice prepared in a cylinder target cell. The temperature in the solid D₂ ice oscillated periodically with a high amplitude when irradiated by the IR light. The temperature oscillation has been well explained based on the two-dimensional heat transfer theory plus the IR-irradiation effect. The transmission optical imaging reveals that such a temperature oscillation is favorable to recrystallize the solid D₂ ice from multicrystal to quasi single crystal. This suggests an efficient method to layer the solid hydrogen-isotope ice for the inertial-confinement-fusion (ICF) experiments.     

Interaction of PH3 coadsorbed with H2, D2, O2 and H2O on Rh(100)

The coadsorption of PH₃ with H₂, D₂, O₂ and H₂O on Rh(100) has been studied using temperature programmed desorption (TPD), Auger electron spectroscopy (AES) and low energy electron diffraction (LEED). The adsorption and molecular desorption of PH₃ is not affected by preadsorbed H₂, D₂ and O₂. Preadsorbed PH₃ blocks H₂ desorption sites while postdosed PH₃ displaces H₂ (D₂₁) from the Rh(100). When D₂ and PH₃ are coadsorbed, no D appears in desorbed phosphine. Preadsorbed O₂ reduces the amount of H₂ desorption (from PH₃ decomposition) and increases the H₂ desorption temperature. There is also some reaction between O(a) and H(a) to form water. Preexposure to H₂O decreases the extent of PH₃ adsorption and of PH₃ decomposition.     

Lyman transitions of high rovibrationally excited H2, HD and D2 molecules

Energies and probabilities of Lyman transitions of high rovibrationally excited H₂, HD and D₂ molecules have been measured and compared with calculations. The experimental results are obtained from laser-induced fluorescence spectra that have been recorded in the spectral range from 60 500 to 83 500 cm⁻¹, covering 2/3 of the hydrogen Lyman band system. The necessary vacuum-UV radiation is produced by stimulated anti-Stokes Raman scattering, providing a widely tunable radiation source with narrow spectral bandwidth to resolve single Lyman transitions. The highest internal energies of detected hydrogen isotopologues are close to the dissociation limit. This extends the available data base of Lyman transitions from and to higher rotational states (J > 10) of HD and D₂.     

Penning ionization electron spectroscopy of H2O,D2O,H2S and SO2

Electron energy peak shifts and peak shapes were determined in the ionization of H₂O, D₂O, H₂S and SO₂ by Ne(³P₂) and He(2¹S, 2³S) metastable atoms. The shifts are large, especially in ionization of H₂O and D₂O into the ionic ground state and are probably mostly due to chemical interaction during the collision.In a previous paper the electron energy distribution curves for ionization of CO, HCl, HBr, N₂O, NO₂, CO₂, COS and CS₂ by helium, neon and argon metastables and the characteristics of this ionization were described¹. In this paper the series of triatomic molecules was extended to the molecules H₂O, D₂O, H₂S and SO₂. Because all these molecules have considerable dipole moments it could be expected that the peak shifts might be enhanced as compared with other triatomic molecules.     

Theoretical study of stereodynamics for the N+H2/D2/T2 reactions

The effects of isotopic variants on stereodynamic properties for the title reactions have been investigated using a quasi-classical trajectory method based on the first excited state NH2（I^2A＇） potential energy surface [Li Y Q and Varandas A J C 2010 J. Phys. Chem. A 114 9644]. The forward–backward symmetry scattering of the differential cross section can be observed, which demonstrates that all these reactions follow the insertion mechanism. Three angle distribution functions P（θr）, P（φr）, and P（θr, φr） with different collision energies and target molecules H2/D2/T2 are calculated. It is shown that the product rotational angular momentum is not only aligned, but also oriented along the direction perpendicular to the scattering plane. The title reaction is mainly governed by the ＂in-plane＂ mechanism through the calculated distribution function P（θr, φr）. The observable influences on the rotational polarization of the product by the isotopic substitution of H/D/T can be demonstrated.     

The infrared-induced temperature distributions of solid D2 ices

A specific-wavelength infrared(IR) light(λ = 3140 nm) was irradiated into a solid D2 ice prepared in a cylinder target cell.The temperature in the solid D2 ice oscillated periodically with a high amplitude when irradiated by the IR light.The temperature oscillation has been well explained based on the two-dimensional heat transfer theory plus the IR-irradiation effect.The transmission optical imaging reveals that such a temperature oscillation is favorable to recrystallize the solid D2 ice from multicrystal to quasi single crystal.This suggests an efficient method to layer the solid hydrogen-isotope ice for the inertial-confinement-fusion(ICF) experiments.     

Elucidating surface properties of dry-etched ZnO using H2/CH4 and H2/CH4/Ar plasma

This paper reports a study of reactive ion etching (RIE) of n-ZnO in H₂/CH₄ and H₂/CH₄/Ar gas mixtures. Variables in the experiment were gas flow ratios, radio-frequency (rf) plasma power, and total pressure. Structural and electrical parameters of the etched surfaces and films were determined. Both the highest surface roughness and highest etching rate of ZnO films were obtained with a maximum rf power of 300 W, but at different gas flow ratios and working pressures. These results were expected because increasing the rf power increased the bond-breaking efficiency of ZnO. The highest degree of surface roughness was a result of pure physical etching by H₂ gas without mixed CH₄ gas. The highest etching rate was obtained from physical etching of H₂/Ar species associated with chemical reaction of CH₄ species. Additionally, the H₂/CH₄/Ar plasma treatment drastically decreased the specific contact and sheet resistance of the ZnO films. These results indicated that etching the ZnO film had roughened the surface and reduced its resistivity to ohmic contact, supporting the application of a roughened transparent contact layer (TCL) in light-emitting diodes (LEDs).     

用SiCl4/H2气源沉积多晶硅薄膜光照稳定性的研究

对以SiH₄/H₂及SiCl₄/H₂为源气体、采用 等离子体增强化学气相沉积技术制备的非晶硅薄膜和多晶硅薄膜进行了光照稳定性的研究.实验表明，制备的多晶硅薄膜并没有出现 非晶硅中的光致衰减现象，其光电导、暗电导在光照过程中没有下降反而有所上升且电导率 变化快慢受氢稀释度的制约.多晶硅薄膜的光照稳定性可能来源于高的晶化度及Cl元素的存在. 关键词： 多晶硅薄膜 稳恒光电导效应 晶界 光致衰退效应     

Atomic-potential parameters for H2 and D2: quantum corrections in the calculation of second-virial coefficients

First-order quantum corrections were introduced into the computation of the second-virial coefficients of H₂ and D₂. The quantum effects, for the studied two light molecules, are considerable even at the room temperature and become prominent at low temperatures. Atomic potentials, incorporating the quadrupole interactions, were employed in the calculations. Optimum atomic-potential parameters ε_H, σ_H, ε_D and σ_D were obtained from the nonlinear least-squares fit of the experimental second-virial coefficients. The fitted virial coefficients cover the temperature ranges of 173-423 and 153- for H₂ and D₂, respectively.     

Far-infrared absorption intensities of H2O and D2O in C6H6

Far-i.r. absorption intensities have been measured for H₂O and D₂O in C₆H₆ solutions. Beer's law plots were found to be nonlinear. From the plots, the equilibrium constants of dimer formation in benzene were estimated to be 2.4M^-1 and 3.3M^-1 for H₂O and D₂O at 20°C, respectively. Based on Onsager's reaction field and including explicitly the effect of differences in molecular size between solute and solvent molecules, the internal moment of a water molecule and the volume ratio of a molecule to a cavity were estimated from the integrated absorption intensity of a D₂O monomer in C₆H₆ as 1.98 D and 0.7, respectively     

Cu(100)表面上H2/D2散射的六维态-态量子动力学研究：位点平均模型的有效性

基于由optPBE-vdW密度泛函计算的数千个数据点拟合得到的精确的神经网络势能面,本文采用含时波包方法对H₂/D₂在刚性Cu(100)表面上的态-态散射进行了六维量子动力学计算. 与以往的理论和实验比较了H₂和D₂在Cu(100)中的振转(非)弹性散射的结果. 特别是通过将六维的(非)弹性散射几率与从十五个位点加权平均四维几率的结果比较,测试了在该体系中位点平均近似模型的有效性. 具体来说,位点平均模型很好地重现了振动弹性散射几率,尽管对于高能下的振动非弹性散射结果没那么好. 结果说明在未来研究重双原子或多原子分子从金属表面的态-态散射动力学时,可以使用位点平均模型来降低全维计算过高的成本.     

RHEED and Auger study of the MoO3(010) surface interaction with H2S/H2 mixture and pure H2S

Pure single crystals of MoO₃ were carefully grown by physical vapor transport. The initial stages of the interaction of H₂S with a MoO₃ (010) surface were studied by RHEED and AES at low pressure p <133 Pa and at T < 700 K. Three main stages were found: (a) The formation of either a completely disordered sulphur adiayer (with pure H₂S) or a superstructure MoO₃(010)-[2 × 1]S (with H₂S/H₂). (b) A reduction of MoO₃ producing oriented three-dimensional MoO₂ islands, (c) An epitaxial overgrowth of MoS₂ from the MoO₂ three-dimensional crystallites.     

Coadsorption of NO and other small gases (H2 and CO) on polycrystalline rhodium surface

The coadsorption of NO and other small gases (H₂ and CO) on a polycrystalline Rh filament has been studied by thermal desorption mass spectroscopy, using ¹⁵NO. The sample was exposed to a mixture of nitric oxide and other gases with various concentrations of ¹⁵NO at room temperature. It is indicated that NO, CO and H₂ coadsorbs on the rhodium surface, and NO desorbs as N₂ and O₂. NO is adsorbed mainly in the dissociation at lower coverage and molecular adsorption becomes dominant at higher coverage. But the amount of desorbed O₂ was very small. The chemisorption of CO is affected by the chemisorbed NO. Thermal desorption of hydrogen is detected when the value of P_15NO/P_CO is very small. The hydrogen adsorbed on the rhodium surface is replaced by NO with a longer exposure time.     

High temperature thermodynamics of H2 and D2 in titanium,and in dilute titanium oxygen solid solutions

The Tian Calvet microcalorimetric method has been improved in order to determine Δ$\text{H}$_H(D), the partial molar enthalpy of mixing of hydrogen (deuterium) in the Ti-H₂(D₂) solid systems for compositions 0 < (H/Ti) < 1.85, at 713 K and in the α TiO_y + H₂ solid solutions (y = (O/Ti)) at 745 K. The combined calorimetric and equilibrium method allows a precise evaluation of the partial molar entropies. The results of this study differ substantially from earlier published data.