Fast diffusion of H and creation of dangling bonds in hydrogenated amorphous silicon studied by in situ ESR

The interaction of atomic hydrogen with a-Si:H films was studied by means of in situ ESR during H plasma treatment. H diffuses into the a-Si:H film and creates additional Si dangling bonds ( approximately 10(13) cm (-2)). We observed a high diffusion coefficient (>10(-10) cm (2) s (-1)) at the very initial stage of H treatment (<1 s). The resulting additional dangling bonds are spatially distributed ( approximately 100 nm) into the bulk film. The characteristic depth of dangling bond (db) distribution decreases with increasing H treatment temperature. The activated rate constants of db creation and annihilation reactions determine the distribution of additional dangling bonds at different treatment temperatures.     

Influence of divalent cationic impurities on plasticity of AgCl

The hardening effect of Mg²⁺, Ca²⁺, Sr²⁺, Cd²⁺ and Ba²⁺ impurities in polycrystalline AgCl was investigated. With exception of Mg²⁺ the hardening effect of the impurities decreases with increasing atomic number (atomic weight). The hardening effects of Mg²⁺ and Ca²⁺ are expressively stronger than those of the three remaining impurities. Approximately linear dependence of the stress at the beginning of plastic deformation on the impurity concentration was found. Possible causes of the different hardening effects of the divalent impurities are discussed.     

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.     

Electron spin resonance spectroscopy of molecules in large precessional motion: a case of H6(+) and H4D2(+) in solid parahydrogen

We have measured electron spin resonance (ESR) spectra of H6+ and H4D2(+) ions produced in gamma-ray irradiated solid parahydrogen. Anisotropic hyperfine-coupling constants for H6(+) and H4D2(+) determined by the analysis of ESR lines at 4.2K were -0.06 and -0.12 mT, respectively, which were opposite in sign to and much smaller than theoretical results of 1.17-1.25 mT. Although no change was observed in H6(+), the constant for H4D2(+) increased to be 1.17 mT at 1.7 K, which is very close to the theoretical value. We concluded that H6+ both at 4.2 and 1.7 K and H4D2(+) at 4.2K should be in a large precessional motion with the angle of 57-59 degrees, but the precession of H4D2(+) is stopped at 1.7 K.     

Fluctuations of electrical and mechanical properties of diamond induced by interstitial hydrogen

While experimental evidence demonstrates that the presence of hydrogen(H)impurities in diamond films plays a significant role in determining their physical properties,the small radius of the H atom makes detecting such impurities quite a challenging task.In the present work,first-principles calculations were employed to provide an insight into the effects of the interstitial hydrogen on the electrical and mechanical properties of diamond crystals at the atomic level.The migrated pathways of the interstitial hydrogen are dictated by energetic considerations.Some new electronic states are formed near the Fermi level.The interstitial hydrogen markedly narrows the bandgap of the diamond and weakens the diamond crystal.The obvious decrement of the critical strain clearly implies the presence of an H-induced embrittlement effect.     

Hydrogen action in the surface space charge region of highly doped silicon

The action of atomic hydrogen on clean cleaved (1 1 1) surfaces of highly doped silicon samples, both phosphorus ([n] = 2 × 10¹⁹ cm^-3) and boron ([p] = 4 × 10¹⁹ cm^-3) doped has been compared to the case of lightly doped samples ([n] = 1 × 10¹⁴ cm^-3). Once cleaved under ultra high vacuum, the samples were exposed to increasing doses of atomic hydrogen up to saturation. Before and after each hydrogen exposure, the Si(1 1 1) 2 × 1 surface was studied by low energy electron diffraction (LEED) and photoemission yield spectroscopy (PYS). The compared PYS measurements show that H atoms adsorbed on the Si(1 1 1) surface at room temperature do totally compensate the shallow-acceptor impurities (boron) and only partially the shallow-donor impurities (phosphorus) in the space charge region. They also remove the surface dangling bond states. These effects are reversible upon heating under vacuum. Both surface stresses and space charge electric field play a role in this compensation effect.     

Strong isotope effects on the charge transfer in slow collisions of He2+ with atomic hydrogen, deuterium, and tritium

Probabilities and cross sections for charge transfer by He2+ impact on atomic hydrogen (H), deuterium (D), and tritium (T) at low collision energies are calculated. The results are obtained using an ab initio theory, which solves the time-dependent Schr?dinger equation. For the H target, excellent agreement is achieved between the present and previous results. Differences by orders of magnitude are observed between the cross sections for H, D, and T. A method is introduced to separate the contributions of charge-transfer mechanisms due to radial and rotational coupling. The large differences observed for H, D, and T are attributed to isotope effects in the rotational coupling mechanism.     

ESR investigations on hydrogen-induced hyperfine splitting features in ZnO

Low temperature X-band electron spin resonance measurements (ESR) were performed on as-grown and post-hydrogenated zinc oxide (ZnO) single crystals. As-grown ZnO exhibits a single strong line at g=1.957$g=1.957$ that was identified as hydrogen. In contrast, post-hydrogenated ZnO shows a distinctly different ESR spectrum. Besides the intensification of the hydrogen donor line, hydrogenation triggers the observation of additional hyperfine lines. They are attributed to manganese (Mn) impurities probably introduced from the growth process. From the ESR data a Mn concentration of 6×10¹³ cm⁻³ was estimated.     

1H-1H double-quantum CRAMPS NMR at very-fast MAS (nuR=35 kHz): a resolution enhancement method to probe 1H-1H proximities in solids

A High-resolution two-dimensional (2D) (1)H double-quantum (DQ) homonuclear recoupling experiments, combined with smooth amplitude-modulation (SAM) homonuclear decoupling is presented. The experiment affords highly resolved and clean (1)H DQ-SQ 2D spectra at very-fast MAS rates (nu(R)=35 kHz). The method is well suited to probe (1)H-(1)H distances in powdered solids and demonstrations are applied on a NaH(2)PO(4) powdered sample, an inorganic compound having hydrogen bonding networks.     

完整大豆叶片中自由基对的相互作用

本工作对完整大豆叶片直接地进行了电子自旋共振谱的测量.通过求解薛定格方程,给出IP-700+的数值解析表达式,该式与ESR实验曲线符合的很好.从而证实电子自旋极化理论对大豆叶片中光诱导信号I动力学和线型分析的适用性,以及得到A1是叶绿素A二聚物的判断.     

Reactive wetting: H2O/Rh(111)

First-principles calculations imply that neither H2O bilayers nor half-dissociated, H2O+OH+H monolayers are thermodynamically stable on clean Rh(111). Thus, the experimental observation that Rh(111) supports a periodic 2D water adlayer needs an explanation. Chemistry involving common surface impurities, notably C atoms, may be the answer. Calculations show they provide favorable binding sites for H atoms detached from H2O. The resulting OH fragments can anchor a 2D water layer to the surface.     

The role of hydrogen in hydrogenated microcrystalline silicon film and in deposition process with VHF-PECVD technique

The role of hydrogen in hydrogenated microcrystalline silicon ($\mu $c-Si:H) thin films in deposition processes with very high frequency plasma-enhanced chemical vapour deposition (VHF-PECVD) technique have been investigated in this paper. With \textit{in situ} optical emission spectroscopy (OES) diagnosis during the fabrication of $\mu $c-Si:H thin films under different plasma excitation frequency $\nu _{\rm e }$ (60MHz--90MHz), the characteristic peak intensities ($I_{{\rm SiH}^*}$, $I_{{\rm H}\alpha^*}$ and $I_{{\rm H}\beta ^*}$) in SiHVHF-PECVD技术 氢化微晶硅 光发射光谱 薄膜学VHF-PECVD technique, hydrogenated microcrystalline silicon, role of hydrogen, optical emission spectroscopyProject supported by the Natural Science Foundation of Guangdong Province, China (Grant No 05300378), the State Key Development Program for Basic Research of China (Grant Nos G2000028202 and G2000028203) and the Program on Natural Science of Jinan University, Guangzhou, China (Grant No 51204056).2005-11-252005-11-252006-01-05The role of hydrogen in hydrogenated microcrystalline silicon （μc-Si：H） thin films in deposition processes with very high frequency plasma-enhanced chemical vapour deposition （VHF-PECVD） technique have been investigated in this paper. With in situ optical emission spectroscopy （OES） diagnosis during the fabrication of μc-Si：H thin films under different plasma excitation frequency Ve （60MHz-90MHz）, the characteristic peak intensities （IsiH＊, IHα＊ and IHβ＊ ） in SiH4＋H2 plasma and the ratio of （IHα＊ ＋ IHβ＊ ） to IsiH＊ were measured; all the characteristic peak intensities and the ratio （IHα＊ ＋ IHβ＊ ）/IsiH＊ are increased with plasma excitation frequency. It is identified that high plasma excitation frequency is favourable to promote the decomposition of SiH4＋H2 to produce atomic hydrogen and SiHx radicals. The influences of atomic hydrogen on structural properties and that of SiHx radicals on deposition rate of μc-Si：H thin films have been studied through Raman spectra and thickness measurements, respectively. It can be concluded that both the crystalline volume fraction and deposition rate are enhanced with the increase of plasma excitation frequency, which is in good accord with the OES results. By means of FTIR measurements, hydrogen contents of μc-Si：H thin films deposited at different plasma excitation frequency have been evaluated from the integrated intensity of wagging mode near 640 cm^-1. The hydrogen contents vary from 4% to 5%, which are much lower than those of μc-Si：H films deposited with RF-PECVD technique. This implies that μc-Si：H thin films deposited with VHF-PECVD technique usually have good stability under light-soaking.     

Nonmetallic crystals with high thermal conductivity

Nonmetallic crystals transport heat primarily by phonons at room temperature and below. There are only a few nonmetallic crystals which can be classed as high thermal conductivity solids, in the sense of having a thermal conductivity of > 1 W/cmK at 300K. Thermal conductivity measurements on natural and synthetic diamond, cubic BN, BP and AIN confirm that all of them are high thermal conductivity solids. Studies have been made of the effect on the thermal conductivity of nitrogen impurities in diamond, and oxygen impurities in AIN. The nitrogen impurities scatter phonons mostly from the strain field, the oxygen impurities scatter phonons mostly from the mass defects caused by aluminum vacancies. Pure A1N as well as pure SiC, BeO, BP and BeS conduct heat almost as well as does copper at room temperature, while pure natural and synthetic diamonds conduct heat five times better than copper.All of the nonmetallic solids that are known to possess high thermal conductivity have either the diamond-like, boron carbide, or graphite crystal structure. There are twelve different diamond-like crystals, a few boron carbide-type crystals, and two graphite structure crystals that have high thermal conductivity. Analyses of the rock-salt, fluorite, quartz, corundum and other structures show no candidates for this class. The four rules for finding crystals with high thermal conductivity are that the crystal should have (1) low atomic mass, (2) strong bonding, (3) simple crystal structure, and (4) low anharmonicity. The prime example of such a solid is diamond, which has the highest known thermal conductivity at 300K.     

Spectroscopic observation of helium-ion- and hydrogen-catalyzed hydrino transitions

Four predictions of Mills’ Grand Unified Theory of Classical Physics (GUTCP) regarding atomic hydrogen undergoing a catalytic reaction with certain atomized elements and ions which resonantly, nonradiatively accept integer multiples of the potential energy of atomic hydrogen, m · 27.2 eV wherein m is an integer, have been confirmed experimentally. Specifically, a catalyst comprises a chemical or physical process with an enthalpy change equal to an integer multiple m of the potential energy of atomic hydrogen, 27.2 eV. For He⁺ m = 2, due to its ionization reaction to He²⁺, and two H atoms formed from H₂ by collision with a third, hot H can also act as a catalyst with m = 2 for this third H. The product is H(1/p), fractional Rydberg states of atomic hydrogen called “hydrino atoms” wherein n = 1/2, 1/3, 1/4, …, 1/p(p≤137 is an integer) replaces the well-known parameter n = integer in the Rydberg equation for hydrogen excited states. The predictions for the hydrino reaction of (1) pumping of the catalyst excited states, (2) characteristic EUV continuum radiation, (3) fast H, and (4) hydrino products were observed in multiple catalyst-hydrogen plasma systems.     

The relationship between hydrogen and paramagnetic defects in thin film silicon irradiated with 2 MeV electrons

After irradiation of hydrogenated amorphous and microcrystalline silicon (a-Si:H and μc-Si:H) with 2 MeV electrons at 100 K, we observe satellite-like components close to the dominating electron spin resonance (ESR) signal of these materials. The satellites overlap with the commonly observed dangling bond resonance and are proposed to originate from a hyperfine interaction with the nuclear magnetic moment of hydrogen atoms in a-Si:H and μc-Si:H. Our present study is focused on the verification of this hypothesis. Equivalent hydrogenated and deuterated a-/μc-Si:H/D materials have been investigated with ESR before and after 2 MeV electron bombardment. From the difference between ESR spectra of hydrogenated and deuterated samples we identify the doublet structure in the ESR spectra as a hyperfine pattern of hydrogen-related paramagnetic centers. The observations of H-related paramagnetic centers in a-/μc-Si:H are of particular interest in view of metastability models of a-Si:H, which include H-related complexes as precursors for the stabilization of the metastable Si dangling bonds. The nature of the observed center is discussed in the light of known H-related complexes in crystalline Si and suggested H-related dangling bonds in a-Si:H.     

Sputtering and electron excitation of gold by hydrogen atoms of thermal energies

The effect of gold sputtering by atomic hydrogen is discovered. It is established that the sputtering mechanism is related to the electron excitation of the metal via the heterogeneous reaction H + H → H₂.     

Rb(7S-5D)-H2,He能量转移截面与温度的关系

脉冲激光双光子激发Rb(5S)态到Rb(5D)或Rb(7S)态,在样品池条件下,利用原子荧光光谱方法测量了Rb(7S-5D)-H2,He碰撞能量转移截面与池温的关系.利用三能级模型的速率方程分析.通过测量在不同H2或He密度下的直接荧光与转移荧光的时间积分强度比,在353～493 K温度范围内得到了Rb(7S-5D)-H2,He的反应与非反应碰撞能量转移截面.对于Rb(7S)+H2→Rb(5D)+H2,其转移截面随温度的增加而减小,而其逆过程的转移截面则随温度的增加而增加.对于与He的碰撞,在不同温度下7S-5D的转移截面均符合细致平衡原理,7S,5D态与H2的碰撞速率系数是反应与非反应速率系数之和,利用实验数据可以分别确定反应与非反应截面,7S态的平均反应截面与5D态平均反应截面之比约为1.5.Rb(7S)与H2的反应活动性大于Rb(5D).     

Laser Doppler spectroscopy of atomic hydrogen in the photodissociation of HI

Laser induced fluorescence Doppler spectroscopy has been applied for the first time to atomic hydrogen using tunable VUV light at the Lyman-α line. The dissociation of HI at 266 nm into H+I(P _1/2) and H+I(P _3/2) has been investigated. The recoil energy, angular distribution and branching ratio of the H atom have been measured, serving to test and study the feasibility and applicability of the technique.     

Ni(111)表面一氧化碳和氢共吸附的密度泛函理论研究

本文用密度泛函理论(DFT)的总能计算研究了一氧化碳和氢原子在Ni(111)表面上p(2×2)共吸附系统的原子结构和电子态，结果表明CO和H原子分别被吸附于两个对角p(1×1)元胞的hcp和fcc位置.以氢分子和CO分子作为能量参考点，总吸附能为2.81 eV，相应的共吸附表面功函数φ为6.28 eV.计算得到的C—O，C—Ni和H—Ni的键长分别是1.19?, 1.96?和 1.71?，并且CO分子以C原子处于hcp的谷位与金属衬底原子结合.衬底Ni(111)的最外两层的晶面间距在吸附后的相对变化分别是 关键词： Fisher-Tropsch反应 催化作用 Ni(111) p(2×2)/(CO+H) 共吸附