VUV photochemistry of oriented molecules: methylchloride on highly oriented pyrolytic graphite

The photoionization of CH₃Cl adsorbed on highly oriented pyrolytic graphite has been investigated as a function of the photon energy in the range 13–35 eV. Two ions were detected — CH⁺₃ and H⁺ — which show differences in their coverage and energy dependences. At very low coverages only H⁺ ions are produced, while at higher coverages (still in the monolayer regime) CH⁺₃ ions are also observed, reflecting a change in the orientation of the molecule on the surface as a function of coverage. The cross-section curves as a function of the photon energy for both ions show a maximum at 22 eV, while the onsets are at 16 eV for CH⁺₃ and 19 eV for H⁺.     

Vibrational study of silicon oxidation: H2O on Si(100)

The vibrational spectrum of water dissociatively adsorbed on Si(100) surfaces is obtained with surface infrared absorption spectroscopy. Low frequency spectra (< 1450 cm⁻¹ are acquired using a buried CoSi₂ layer as an internal mirror to perform external reflection spectroscopy. On clean Si(100), water dissociates into H and OH surface species as evidenced by EELS results [1] in the literature which show a Si---H stretching vibration (2082 cm⁻¹), and SiO---H vibrations (O---H stretch at 3660 cm⁻¹ and the Si---O---H bend and Si---O stretch of the hydroxyl group centered around 820 cm⁻¹). In this paper, infrared (IR) measurements are presented which confirm and resolve the issue of a puzzling isotopic shift for the Si---O mode of the surface hydroxyl group, namely, that the Si---O stretch of the O---H surface species formed upon H₂O exposure occurs at 825 cm⁻¹, while the Si---O stretch of the ---OD surface species formed upon D₂O exposure shifts to 840 cm⁻¹, contrary to what is expected for simple reduced mass arguments. The higher resolution of IR measurements versus typical EELS measurements makes it possible to identify a new mode at 898 cm⁻¹, which is an important piece of evidence in understanding the anomalous frequency shift. By comparing the results of measurements for adsorption of H¹⁶₂O, H¹⁸₂O and D₂O with the results from recently performed first-principles calculations, it can be shown that a strong vibrational interaction between the Si---O stretching and Si---O---H bending functional group vibrations of the hydroxyl group accounts for the observed isotopic shifts.     

��������Ƶ���Ƶ������Ϸŵ�������������ıȽ�

开发了氢气甚高频(60MHz)容性耦合放电的PIC/MC模型.在模型中考虑了带电粒子(e,H+,H2+,H3+)与H2的21种碰撞反应过程,模拟了氢气甚高频放电射频电场和电势分布以及电子和氢离子(H+,H2+,H3+)粒子密度和平均能量分布,并与频率为13.56MHz的放电结果进行了比较.结果表明,相对于频率13.56MHz的放电,氢气甚高频放电等离子体电势增高,导致两电极附近的电场增强;另外,两鞘层厚度变窄并且电子和H3+离子平均能量减小,其总密度却增加.H3+离子为氢气甚高频放电空间的主要离子,H2+离子密度比H3+离子小约2～3个数量级.     

Geometries and electronic structures of the hydrogenated diamond (100) surface upon exposure to active ions: A first principles study

To elucidate the effects of physisorbed active ions on the geometries and electronic structures of hydrogenated diamond films, models of HCO⁻₃ , H₃O⁺, and OH⁻ ions physisorbed on hydrogenated diamond (100) surfaces were constructed. Density functional theory was used to calculate the geometries, adsorption energies, and partial density of states. The results showed that the geometries of the hydrogenated diamond (100) surfaces all changed to different degrees after ion adsorption. Among them, the H₃O⁺ ion affected the geometry of the hydrogenated diamond (100) surfaces the most. This is well consistent with the results of the calculated adsorption energies, which indicated that a strong electrostatic attraction occurs between the hydrogenated diamond (100) surface and H₃O⁺ ions. In addition, electrons transfer significantly from the hydrogenated diamond (100) surface to the adsorbed H₃O⁺ ion, which induces a downward shift in the HOMO and LUMO energy levels of the H₃O⁺ ion. However, for active ions like OH⁻ and HCO⁻₃ , no dramatic change appears for the electronic structures of the adsorbed ions.     

Conductivity relaxation parameters of some H and K conducting in the polycrystalline compound KDyHP3O10

Polycrystalline samples of KDyHP₃O₁₀ was obtained by heating for 12 hour at 553 K a mixture containing K₂CO₃, Dy₂O₃ and H₃PO₄. Samples were characterized through X-ray diffraction, examined by IR vibrational spectroscopy and impedance and modulus spectroscopy techniques. The conductivity relaxation parameters of some H⁺ and K⁺ conducting in this compound have been determined from an analysis of ac conductivity data measured in a wide temperature range. Transport properties in this material appears as due to H⁺ and K⁺ ions hopping mechanism. The stretched exponential function exp[−(t/τ_σ)^β] has been used to describe the conductivity relaxation. The relaxation parameters have been investigated as a function of the nature of mobile ions. The results obtained are shown to be in good agreement with the predictions of the Ngai coupling model.     

射频离子源离子束成分光谱测量

为HL-2A 装置中性束注入器研制了引出束功率为1MW 的射频离子源。在测试平台上,实验离子源已经成功引出了束能量和束电流分别为35keV 和12.4A、束质子比为79%、脉宽为100ms 的氢离子束,达到了设计束功率要求的44%。在射频离子源实验平台上,利用多普勒频移光谱方法测量了离子源引出束流成分比例,对比了束流成分和射频离子源引出束流之间的关系。实验数据分析表明,在10A 引出束流的情况下,离子流成分 H⁺ ₁、H⁺ ₂ 和H⁺ ₃ 分别为75%、18%和7%。并且当引出束流从3.3A 升至10.4A 时,H⁺ ₁ 从37%升至78%,而H⁺ ₃ 则从19%降至9%。     

First-Principles Calculations of the AS,, Electronic Structures

The changes in the GaAs electronic structure due to the arsenic-antisite defect have been calculated by using LDF-LMTO-ASA method to a D_2d-symmetry-supercell ( Ga₁₅As₁₇□₃₂)c,o ntains 15 gallium atoms, 17 arsenic atoms and 32 empty spheres. The results show that the central AsGa atom is antibonding with its nearest neighbor arsenic atoms and therefore induces gap states in GaAs. The gap states are composed of A₁-like state and T₂-like state. The bonding properties of gap states have been analyzed in detail by using density of states (DOS) and combined coefficients of wavefunctions. Our results of E_A1 =E_v+0.70 eV and= E_T2+1.07eV are in good agreement with experiments as well as previous calculation results obtained by other self-consistent methods.     

荧光显微镜研究极端pH值诱导磷脂支撑膜的侧向再组织

利用荧光显微镜研究了极端pH值诱导支撑磷脂双层膜的侧向再组织.结果表明,在强酸/强碱性溶液中,流动性较好的二油酰磷脂酰胆碱支撑膜出现破裂、分离、出芽或生出微管等与细胞内吞和外排相似的现象.基于极性分子与H+/H3O+或OH-的相互作用,以电中性的磷脂首基为核吸附溶液中的H+/H3O+或OH-.当磷脂膜上下叶吸附的电荷量不同时,引起两叶有效面积差,即磷脂膜曲率不对称,从而诱发磷脂膜出现各种结构和动力学的响应.本研究有助于理解极端环境对生物膜的影响,为研究生物膜的形变过程提供了参考.     

带有质量分析系统的强流质子束低能传输线研究

强流质子源与低能传输线（LEBT）是作为CIADS注入器的超导强流质子直线加速器的关键前端系统。目前LEBT采用双螺线管匹配结构设计,并安装有限制锥,但仍然不能避免少量H₂+和H₃+进入后端加速装置,这对直线加速器长期运行稳定性与可靠性会产生一定影响。为此,在LEBT加入分析磁铁对混合束（H+,H+2,H₃+）进行分离再注入后端加速器腔体,将是一个有效的方案。本研究对经过带有30度分析磁铁的LEBT的强流质子束的束流品质进行了模拟与实验测量。结果表明,分析磁铁高阶磁场的影响使经过分析磁铁的强流质子束束流品质变差,并且该影响随着束流包络的增大而增大。这些结果为CIADS注入器的低能传输线设计提供了参考依据。High current proton source and the low energy beam transport(LEBT) are the key front-end systems for CIADS injector:high current proton linac accelerator. CIADS injector's LEBT adopts double solenoid matching structure, using a limit cone which can partially avoid H₂+ and H₃+ which injecting into the back-end linac accelerator may impact the long-term stability and reliability of the whole system. It will be an effective method to separate the hybrid ions (H+, H₂+, H₃+) by adding a dipole magnet at LEBT. In this article, we simulated and mesasured the high current proton beam quality behind the LEBT with a 30 degree dipole. The results show that the the proton beam quality is significantly effected by high-order magnetic fields of the dipole magnet, and the effect increases with the increase of the beam envelope. The achieved result is useful for the LEBT design of CIADS injector.     

圆筒内氢等离子体非定常化学反应羽流场DSMC分析

利用直接模拟Monte Carlo方法研究圆筒侧壁注入氢等离子体羽流场在8×10^-6s内的非定常流动特性.根据Bird的化学反应模型考虑离解-复合反应模型和电荷转移反应模型.在流场中注入H₂、H、金属原子X、H₂⁺和H⁺五种组分,研究离解-复合反应对流场中粒子分布和密度的影响,结果表明离解-复合反应使H₂数密度降低,H数密度增加,说明在流场中H₂的离解反应速率大于H的复合反应速率.加入电荷转移反应后H₂⁺数密度降低,H⁺数密度增加,对其他组分数密度没有显著影响.     

抗磁离子与氨基酸络合的NMR研究

用NMR测T₁法研究了Fe³⁺存在条件下,抗磁离子Zn²⁺、Cd²⁺、与丙氨酸的络合情况。顺磁离子使配体碳原子的纵向弛豫时间T₁明显缩短。加入抗磁离子后,由于配体竞争并将Fe³⁺置换下来,而大大加长T₁时间,根据弛豫时间的变化便可判断几种抗磁离子的相对络合能力。本文引入一个物理参数来表征抗磁离子的络合能力。     

Nd L-shell x-ray emission induced by light ions

The L-shell x-ray of Nd has been obtained for 300-600 keV He²⁺ ions impacting, and compared with that produced by H⁺ and H₂⁺ ions. The threshold of projectile kinetic energy for L-shell ionization of Nd is crudely verified in the energy region of about 300-400 keV. It is found that the energy of the distinct L-subshell x-rays has a blue shift. The relative intensity ratios of Lβ_{1, 3, 4} and Lβ_{2, 15} to Lα_{1, 2} x-ray are enlarged compared to the atomic data, and they decrease with the increase of the incident energy, and increase with increasing the effective nuclear charge of the incident ions. That is interpreted by the multiple ionization of outer-shells induced by light ions.     

惰性稀土离子和抗衡离子对2-噻吩乙醛酸-铕配合物荧光性能的影响

研究了惰性稀土离子和抗衡离子对一系列2-噻吩乙醛酸-铕配合物荧光性能的影响。分别在2-噻吩乙醛酸-邻菲罗啉-铕和2-噻吩乙醛酸-三苯基氧化膦-铕两个体系中按不同比例掺入钇和钆,研究了它们的荧光光谱。结果表明,钇的加入对2-噻吩乙醛酸-邻菲罗啉-铕体系的荧光强度有很强的敏化作用,并且随加入量的增加,这种敏化作用逐渐增强。钇的加入对2-噻吩乙醛酸-三苯基氧化膦-铕体系则呈现出弱的敏化作用,且在一定程度上具有猝灭作用,但这两种作用都是很微小的。钆在少量加入时对2-噻吩乙醛酸-三苯基氧化膦-铕体系具有猝灭作用,当大量加入时则呈现出很强的敏化作用。不同的抗衡离子对配合物的影响是明显的。在二元配合物中,氯化物体系的固体荧光强度最大;在三元配合物中,硝酸盐体系的固体荧光强度最大。     

On the modeling of hydrogen diffusion processes and complex formation in p-type crystalline silicon

Deuterium diffusion profiles in p-type silicon doped with boron (10¹⁷–10¹⁹ cm^-3) and aluminum (10¹⁸ cm^-3) are simulated with an improved version of a previously reported model. The new approach, based on the observation of experimental profiles, excludes H₂ molecule formation and leads to a reduced fit parameters model. The different diffusion coefficients and activation energies of H⁰ and H⁺ species are determined and discussed in the light of available data. The dissociation energies of BH and AlH complexes are also calculated and found to be in good agreement with the corresponding reported values in the literature.     

Mechanism of defect evolution in H+ and He+ implanted InP

The defect evolution in InP with the 75 keV H⁺ and 115 keV He⁺ implantation at room temperature after subsequent annealing has been investigated in detail. With the same ion implantation fluence, the He⁺ implantation caused much broader damage distribution accompanied by much higher out-of-plane strain with respect to the H⁺ implanted InP. After annealing, the H⁺ implanted InP did not show any blistering or exfoliation on the surface even at the high fluence and the H₂ molecules were stored in the heterogeneously oriented platelet defects. However, the He molecules were stored into the large bubbles which relaxed toward the free surface, creating blisters at the high fluence.     

Li+离子掺杂对红色发光材料Y2(W,Mo)O6:Eu3+发光性能的影响

采用高温固相法制备了荧光粉Y2-x(W,Mo)O6:Eu3+,xLi+,利用X射线衍射仪和电子扫描显微镜对样品的结构和形貌进行了表征,并利用荧光光谱法分析了样品的光谱特性.首先在Y2WO6中掺入少量的Mo6+离子,掺入Mo6+后增加了原Y2WO6:Eu3+的激发光谱在近紫外光区的吸收,扩展了激发光谱的谱宽,但却使Y2W...     

30 keV H+在聚碳酸酯微孔膜中动态输运过程的实验和理论研究

测量了30 keV的H⁺入射倾斜角度为-1°和-2°的聚碳酸酯微孔膜后,出射粒子二维分布图、角度分布、相对穿透率以及出射H⁺电荷态纯度随沉积电荷的演化.实验中30 keV的H⁺在微孔膜中输运特性与之前其他能区离子在微孔膜中输运特性有显著不同,实验中直接观测到出射粒子导向部分和散射部分的动态演化过程,出射的H⁺由沿微孔孔轴方向的导向H⁺和沿入射束流方向的散射H⁺两部分组成,随着微孔内电荷斑的沉积,出射的导向H⁺的占比不断减小,出射散射H⁺占比不断增加;出射H⁰占总出射粒子的比例不断减小,其中心方向逐步向入射束流方向偏转.微孔膜处于不同倾斜角度时,微孔内沉积电荷斑的位置和电场强度是不同的.同时模拟计算了入射H⁺在微孔内部的运动轨迹、微孔内部电荷斑电势和场强分布,实验结果和理论结果得到了很好的验证.对出射离子导向部分和散射部分的动态演化过程的观测和理论解释,使得对中能区离子在微孔膜中输运机制有更好的认识.     

The MACQM Calculation of the Total Energy Curve for the Equilateral Triangle Structure of H3+ Cluster

Considering that the cluster H₃⁺ can be formed from the interaction of H⁺ with two hydrogen atoms, a modified arrangeLent channel quantum mechanics method has been used to calculate the total energy curve for the equilateral triangle structure of H₃⁺. The result shows that the curve has a minimal energy -1.2306 a.u. at the internuclear distance R = 1.97ao = 1.04 Å. This bond length is in good agreement with the experimental value of R = 0.98 ± 0.02 Å.     

Study of the electron damage of the MgO(100)-D2O system by ESD

An electron-stimulated desorption (ESD) study of electron damage of a D₂O layer adsorbed on the MgO(100) surface at room temperature is presented. After exposing the surface to D₂O, the surface spectrum shows the main ESD component to be D⁺ ions, with lower intensity signals corresponding to O⁺ and OD⁺ ions. When the surface is simultaneously exposed to heavy water and electron bombardment, there is a rapid initial increase of the D⁺ intensity accompanied by a decrease of the intensity of the O⁺ ions. Electron damage of the surface after exposing to D₂O produces a significant decrease of the D⁺ intensity, while the O⁺ and OD⁺ intensities decrease more slowly. Heavy water adsorption does not change the form of the ion kinetic energy distribution of the O⁺ ions with electron dose, except for a decrease in intensity. Electron damage increases the intensity of the ion kinetic energy distribution of D⁺ again without changing its shape. These experiments show that heavy water adsorption under electron bombardment does not induce any chemistry of the adsorbed species, but enhances the fragmentation rate of the OD species which, in turn, increases the yield of D⁺ ions. Values of total desorption cross-sections for the three ions species are reported.