电子被等电子分子的散射总截面的研究

讨论等电子分子的分子 (电子数Ne=10 :HF ,H2 O ,NH3,CH4 ;Ne=14:N2 ,CO ,HCN ,C2 H2 ;Ne=18:HCl,CH3F ,H2 S ,SiH4 ,C2 H6)被电子散射的总截面与其键长、键角之间的关系 ,得到了利用键长、键角计算电子被分子散射总截面经验公式 ,并与已有的拟和公式、经验公式的计算结果进行了比较     

氦,氢,氮空心阴极放电的真空紫外辐射特性

介绍了一种水冷、陶瓷封接结构的空心阴极放电装置.研究了He、H_2、N_2在120nm～20Onm范围内该装置的真空紫外辐射特性,获得了100～600mA电流范围内的辐射强度与放电电流的关系,以及充气气压变化对它的影响.实验表明:在实验条件下,主要发射谱线为氮的原子线和氦的离子线;辐射谱线强度在0.03～0.72mW·cm~(-2);气压改变时,N_2、H_2辐射强度有一极大值,而He的离子线辐射强度则出现二个极大;在He/H_2混合气体放电时,随着He的加入,氢分子带光谱有明显下降.     

H_2/N_2湍射流抬升火焰的直接数值模拟

使用上海超算中心的并行计算机模拟了一个实验参数下的湍流射流抬升火焰。该实验的喷口直径为4.57 mm,实验雷诺数达到了23600。为了完成这个高雷诺数射流燃烧的直接数值模拟,共采用了1024个CPU,共计2.85亿网格。主要介绍了采用的直接数值模拟方法,实验的具体参数以及选取该实验作为模拟对象的原因。最后用直接数值模拟的结果具体分析该实验的着火机理。     

H_2/N_2/O_2射流扩散火焰的直接数值模拟

直接数值模拟(DNS),大涡模拟(LES)与雷诺时均模拟(RANS)是数值模拟燃烧流动的三大主要方法,而射流扩散火焰在燃烧理论,实验研究与数值模拟中都扮演着十分重要的角色,本文采用完全可压缩的Naive-Stokes方程,对喷口直径为D=1 mm,Re=2000的射流扩散火焰进行了直接数值模拟.本文首先分析了冷态时H_2,O_2的混合,发现燃料与氧气在流向长度大于6D后的区域混合得十分充分.随后本文分析了燃烧后的统计特性,主要包括速度场,密度,温度以及主要组分与混合分数的分布,并将DNS结果与实验结果进行对比分析.     

Mg3N2和Mg3B2N4触媒的研究

 本文由实验确定了常压下合成的Mg₃B₂N₄触媒和Mg₃N₂-BN体系在高温高压下都转变成相同的高压相Mg₃B₂N₄。本文还讨论了Mg₃B₂N₄和Mg₃N₂触媒的异同。认为用常压合成的Mg₃B₂N₄作为初始触媒对于合成立方氮化硼是有利的。     

Dissociation of H_2 on Mg-coated B_(12)C_6N_6

The dissociation of H_2 molecule is the first step for chemical storage of hydrogen, and the energy barrier of the dissociation is the key factor to determine the kinetics of the regeneration of the storage material. In this paper, we investigate the hydrogen adsorption and dissociation on Mg-coated B_(12)C_6N_6. The B_(12)C_6N_6 is an electron deficient fullerene, and Mg atoms can be strongly bound to this cage by donating their valance electrons to the virtual 2p orbitals of carbon in the cluster. The preferred binding sites for Mg atoms are the B_2C_2 tetragonal rings. The positive charge quantity on the Mg atom is 1.50 when a single Mg atom is coated on a B_2C_2 ring. The stable dissociation products are determined and the dissociation processes are traced. Strong orbital interaction between the hydrogen and the cluster occurs in the process of dissociation, and H_2 molecule can be easily dissociated. We present four dissociation paths, and the lowest energy barrier is only 0.11 eV, which means that the dissociation can take place at ambient temperature.     

{Cu2[C12H18N2O7S]2[C10H8N2]}n聚合物的合成及晶体结构

采用铜(Ⅰ)盐和邻香草醛缩氨基甲磺酸席夫碱以及4,4'-联吡啶在乙醇溶液中合成了具有三维网状的配位聚合物,通过元素分析、红外光谱对配位聚合物进行了表征,并利用X射线单晶衍射仪对其结构进行了鉴定.晶体结构分析表明,该标题配合物属单斜晶系,空间群P2(1)/c,晶胞参数为a=1.1956nm,6=0.8464nm,c=2....     

N2O／C2H2FAAS法测定铝的干扰研究

本文研究了４０种单个无机离子、混和无机离子及２４种有机物在Ｎ２Ｏ／Ｃ２Ｈ２火焰中对铝吸收信号的干扰情况。并从物理干扰、光谱干扰和化学干扰等角度对它们的干扰机理作了解释。     

1，1－二氯双硅烷热分解的理论研究

用ＭＮＤＯ方法研究了１，１－二氯双硅烷的热分解反应，得到了两条反应途径及其过渡态，证明了１，１－二氯双硅烷的热分解是通过１，２－氢迁移和２，１－氢迁移实现的。     

Suppression of indium-composition fluctuations in InGaN epitaxial layers by periodically-pulsed mixture of N_2 and H_2 carrier gas

Indium-composition fluctuations in InGaN epitaxial layers are suppressed by using periodically-pulsed mixture(PPM)of N_2 and H_2 carrier gas. Photoluminescence, optical transmission, reciprocal space map and space-resolved cathodoluminescence are employed to characterize the InGaN epilayers. It is shown that the lateral In-fluctuations mainly occur as hillock-like In-rich regions. Both the number and size of In-rich regions are reduced by introducing the PPM carrier gas.Moreover, the measurements first experimentally demonstrate that the H_2 carrier gas has a stronger decomposition effect on the In-rich region. As the duration time of the PPM carrier gas increases, the reduction of In-content in the In-rich region reaches up to 12%, however, only 2% for the In-homogeneous region. These factors lead to the suppression of In-fluctuations.     

The Growth of Semi-insulating InP(Fe) byVapor-phase Epitaxy Using N_2 H_2 as a Carrier Gas

l.Introduction'ThegrowthofSI-InP:Fecpilayer;c,prosPectivetechniqueforthedevelopmentofIn-GaAsPlaserdiodesandmonolithicintegratcdopto-electronicdeviccs[l]-AlotofstudieshavebeendevotedtothedopingpropcrtiesoftransitionmetalL2]Iron,Titanium,Crareallfoundtoproducesuitabledeopen6rgyleveIsforattainingsemi-insulatingJ,roperties[2J.AtmosphericpressureMOCVDtcchniquedcmonstratesthebcstresultsuptodateonsemi-insuIatingFe-dopedInP[3].Thefilmsgro\vnbyboththechlorideandhydrideVPEtechniquefhavealsob…     

D2及高浓度H2／CH4辉光放电

D_2辉光放电实验的目的旨在进一步了解辉光放电清除水的机制,弄清辉光放电清洗时,高本底H_2与质谱仪中离子源反应生成H_2影响质谱仪分析的情况。实验是在FY-I装置(异形截面环流器)上进行的,装置结构见文献[2]。实验安排与预试环上进行的实验大致相同。重水(D_2O)在相对净化的氢纯化器内电解后,生成D_2(氘)经压电晶体阀控制输入。     

Tuning transport coefficients of monolayer MoSi_2N_4 with biaxial strain

Experimentally synthesized MoSi_2N_4(Science 369 670(2020)) is a piezoelectric semiconductor. Here, we systematically study the large biaxial(isotropic) strain effects(0.90–1.10) on electronic structures and transport coefficients of monolayer MoSi_2N_4 by density functional theory(DFT). With a/a0 from 0.90 to 1.10, the energy band gap firstly increases, and then decreases, which is due to transformation of conduction band minimum(CBM). Calculated results show that the MoSi_2N_4 monolayer is mechanically stable in the considered strain range. It is found that the spin-orbital coupling(SOC) effects on Seebeck coefficient depend on the strain. In unstrained MoSi_2N_4, the SOC has neglected influence on Seebeck coefficient. However, the SOC can produce important influence on Seebeck coefficient, when the strain is applied,for example, 0.96 strain. The compressive strain can change relative position and numbers of conduction band extrema(CBE), and then the strength of conduction bands convergence can be enhanced, to the benefit of n-type ZT_e. Only about0.96 strain can effectively improve n-type ZT_e. Our works imply that strain can effectively tune the electronic structures and transport coefficients of monolayer MoSi_2N_4, and can motivate farther experimental exploration.     

激光诱导荧光方法对SiH4／N2混合气体放电等离子体的研究

用激光诱导荧光方法对SiH_4/N_2混合气体射频放电等离子体进行了研究,实验上首次检测到SiH_4分子射频放电离解过程的中间产物Si_2.     

预试环中H_2及掺杂甲烷的辉光放电清洗

本文给出了在预试环中产生和维持辉光放电的基本参数、氢气(H_2)及氢气掺杂甲烷(H_2/CH_4)辉光放电清洗过程中的质谱分析结果以及氢气辉光放电清洗处理后的样品表面SIMS(二次离子质谱)结果,并进行了讨论。     

Comparison between N_2 and O_2 anneals on the integrity of an Al_2O_3/Si_3N_4/SiO_2/Si memory gate stack

In this paper the endurance characteristics and trap generation are investigated to study the effects of different postdeposition anneals(PDAs) on the integrity of an Al2O3/Si3N4/SiO2/Si memory gate stack. The flat-band voltage(Vfb)turnarounds are observed in both the programmed and erased states of the N2-PDA device. In contrast, this turnaround is observed only in the erased state of the O2-PDA device. The Vfbin the programmed state of the O2-PDA device keeps increasing with increasing program/erase(P/E) cycles. Through the analyses of endurance characteristics and the low voltage round-trip current transients, it is concluded that in both kinds of device there are an unknown type of pre-existing characteristic deep traps and P/E stress-induced positive oxide charges. In the O2-PDA device two extra types of trap are also found: the pre-existing border traps and the P/E stress-induced negative traps. Based on these four types of defects we can explain the endurance characteristics of two kinds of device. The switching property of pre-existing characteristic deep traps is also discussed.     

A periodic DFT study on adsorption of small molecules(CH_4,CO,H_2O,H_2S,NH_3)on the WO_3(001) surface-supported Au

Gas molecules(such as CH4,CO,H2O,H2S,NH_3)adsorption on the pure and Au-doped WO3(001)surface have been studied by Density functional theory calculations with generalized gradient approximation.Based on the the calculation of adsorption energy,we found the most stable adsorption site for gas molecules by comparing the adsorption energies of different gas molecules on the WO3(001)surface.We have also compared the adsorption energy of five different gas molecules on the WO3(001)surface,our calculation results show that when the five kinds of gases are adsorbed on the pure WO3(001)surface,the order of the surface adsorption energy is CO>H2S>CH4>H2O>NH3.And the results show that NH3 is the most easily adsorbed gas among the other four gases adsorbed on the surface of pure WO3(001)surface.We also calculated the five different gases on the Au-doped WO3(001)surface.The order of adsorption energy was found to be different from the previous calculation:CO>CH4>H2S>H2O>NH3.These results provide a new route for the potential applications of Au-doped WO3 in gas molecules adsorption.     

H_1,_H_2_,H_3_和He,Ne,Ar碰撞过程中的巴耳末系H_H_H_发射

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吸附在AgCl溶胶上的卟啉二酸H_4TPP~(2+)和H_4T(p-OCH_3)PP~(2+)的SERS和UVA光谱

本文研究了两种卟啉二酸——5,10,15,20-四苯基卟啉二酸(H_4TPP~(2+))和5,10,15,20-四对甲氧基苯基卟啉二酸(H_4T(p-OCH_3)pp~(2+))在AgCl溶胶上的表面增强拉曼光谱(SERS)和吸收光谱(UVA)。发现H_4TPP~(2+) 吸附在AgCl胶体上,发生部分去质子化;而H_4T(p-OCH_3)PP~(2+)则未发生去质子化作用。两者谱图的差别被归因于后者苯环上的取代基—OCH_3的给电子作用。     

NO_2的自增宽及N_2O_4和CO_2外加气体压致增宽系数的激光磁共振方法测量

激光磁共振光谱方法被用来研究NO_2的v_3振转带谱线的线宽及压致增宽。通过实验测量及数据分析得到了NO_2的自增宽系数及外来气体N_2O_4和CO_2对它的压致增宽系数,γ_(NO_2-NO_2N_2O_4CO_2)=0.043±0.005,0.014±0.003,0.013±0.003MHz/Pa(HWHM),并由此得到了相应的碰撞截面。这些参数的获得对大气污染监测具有十分重要的意义。