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张卫

作品数:3 被引量:1H指数:1
供职机构:中国科学院更多>>
发文基金:国家自然科学基金国家重点基础研究发展计划更多>>
相关领域:理学更多>>

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Electron Momentum Spectroscopy of Outer Valence Orbitals of 2-Fluoroethanol
2015年
The binding energy spectra and electron momentum distributions for the outer valence molecular orbitals of gaseous 2-fluoroethanol have been measured by the non-coplanar asym- metric (e, 2e) spectrometer at impact energy of 2.5 keV plus binding energy. The quantitative calculations of the ionization energies and the relevant molecular orbitals have been carried out by using the outer-valence Green's function method and the density functional theory with B3LYP hybrid functional. The observed ionization bands in binding energy spectra, as well as the previous photoelectron spectrum which was not assigned, have been assigned for the first time through the comparison between experiment and theory. In general, the the- oretical electron momentum distributions calculated by B3LYP method with aug-cc-pVTZ basis set are in line with the experimental ones when taking into account the Boltzmann- weighted thermo-statistical abundances of five conformers of 2-fluoroethanol.
史钰峰单旭王恩亮阳弘江张卫陈向军
关键词:CONFORMER
空间低能离子探测器的紫外响应测试被引量:1
2015年
在空间离子探测过程中,太阳紫外光也会进入探测器产生光污染信号。为了考察它对离子探测的影响,搭建了一套模拟太阳紫外光污染的地面测试系统,并对自主研制的空间低能离子探测器原理样机进行了紫外响应测试。实验结果表明:沿水平方向进入分析器的紫外光响应可以忽略,而以一定倾斜角进入分析器的紫外光响应计数率约为102~103s-1。根据测试结果,估算出探测器对太阳紫外光的抑制率约为10-8,分析了紫外光污染对探测空间低能离子如质子和α粒子的影响。对于质子,由于其通量大,紫外光的影响不大。而对于通量较小的α粒子,紫外光的影响较大,需要进一步采取有效措施进行抑制。此外,本测试系统可以推广到其它空间粒子探测器的太阳紫外光污染的地面模拟测试。
张卫史钰峰单旭李毅人郝新军缪彬徐春凯陈向军陆全明汪毓明张铁龙
Electron Momentum Spectroscopy of Valence Orbitals of n-Propyl Iodide: Spin-Orbit Coupling Effect and Intramolecular Orbital Interaction
2014年
The binding energy spectrum and electron momentum distributions for the outer valence orbitals of n-propyl iodide molecule have been measured using the electron momentum spectrometer employing non-coplanar asymmetric geometry at impact energy of 2.5 keV plus binding energy. The ionization bands have been assigned in detail via the high accuracy SACCI general-R method calculation and the experimental momentum profiles are compared with the theoretical ones calculated by Hartree-Fock and B3LYP/aug-cc-pVTZ(C,H)6-311G??(I). The spin-orbit coupling effect and intramolecular orbital interaction have been analyzed for the outermost two bands, which are assigned to the iodine 5p lone pairs, using NBO method and non-relativistic as well as relativistic calculations. It is found that both of the interactions will lead to the observed differences in electron momentum distributions. The experimental results agree with the relativistic theoretical momentum profiles, indicating that the spin-orbit coupling effect dominates in n-propyl iodide molecule.
王恩亮史钰峰单旭阳弘江张卫陈向军
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