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Photoionization Cross Section and Resonance Structure of Mn+

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Communications in Theoretical Physics 2006年第5期45卷 911-913页

作者： LU Peng-Fei,~1 LIU Jin-Chao,~2.and YANG Xiang-Dong~2.~1 School of Science, beijing univer.ity of Posts and Telecommunication, beijing 100876, china ~2.Institute of atomic and molecular Physics, Sichuan univer.ity, Chengdu 610065, china School of Science Beijing University of Posts and Telecommunication Institute of atomic and molecular Physics Sichuan University

A photoionization cross section calculation of Mn;is performed in the formalism of many-body perturbation theory for photon energies ranging from 48 eV to 56 eV. We consider excitations from the 3p, 3d, and 4s subshells. The effects of the strong 3p→3d and 3p→4s transitions are included as resonant contributions to the total cross sections. Good agreement with experiment is found.

关键词： many-body perturbation theory effective single-particle potential generalized resonance method

Applications of functionalized ionic liquids

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Science china Chemistry 2006年第5期49卷 385-401页

作者： LI Xuehui1, ZHAO Dongbin2.3, FEI Zhaofu2.& WANG Lefu1 1. Department of Chemical Engineering, Guangdong Provincial Laboratory of Green Chemical Technology, South china Uni-versity of Technology, Guangzhou 510641, china 2. Swiss Federal Institute of Technology, Lausanne, EPFL, CH-1015 Lausanne, Switzerland 3. PKU Green Chemistry center, beijing National Laboratory for molecular Sciences, College of Chemistry and molecular Engineering, Peking univer.ity, beijing 100871, china 1. Department of Chemical Engineering Guangdong Provincial Laboratory of Green Chemical Technology South China University of Technology Guangzhou 510641 China 2. Lausanne EPFL Swiss Federal Institute of Technology CH-1015 Lausanne Switzerland 3. PKU Green Chemistry center Beijing National Laboratory for Molecular Sciences College of Chemistry and Molecular Engineering Peking University Beijing 100871 China

Recent developments of the synthesis and applications of functionalized ionic liquids (including dual-functionalized ionic liquids) have been highlighted in this review. Ionic liquids are at-tracting attention as alternative solvents in green chemistry, but as more functionalized ILs are pre-pared, a greater number of applications in increasingly diverse fields are found.

关键词： ionic liquids functionalized ionic liquids dual-functionallzed ionicliquids reaction media asymmetric synthesis nano-materials porous materials lubricants flue-gas desulfurization oil desul-furization

Exotic structure of the third excited state in^(2.)Na

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Chinese Science Bulletin 2005年第23期50卷 2677-2680页

作者： LI Xihan1,2.3, LIANG Yujie1,2.3, DENG Fuguo1,2.3, LIU Zuhua1,4 & ZHOU Hongyu1,2.3 1. Key Laboratory of Beam Technology and Material Modification of Minister of Education, beijing Normal univer.ity, beijing 100875, china 2. Institute of Low Energy Nuclear Physics, and Department of Material Science and Engineering, beijing Normal univer.ity, beijing 100875, china 3. beijing Radiation center, beijing 100875, china 4. china Institute of atomic Energy, beijing 102.13, china Key Laboratory of Beam Technology and Material Modification of Minister of Education Beijing Normal University Beijing 100875 China Institute of Low Energy Nuclear Physics and Department of Material Science and Engineering Beijing Normal University Beijing 100875 China beijing Radiation center Beijing 100875 China china Institute of atomic Energy Beijing 102413 China

The probability of the last proton being out of the binding potential, P and the root-mean-square (rms) ra- dius (1/2. of the third excited state in 2.Na are calcu- lated by means of asymptotic normalization coefficie... 详细信息

The probability of the last proton being out of the binding potential, P and the root-mean-square (rms) ra- dius (2.1/2. of the third excited state in 2.Na are calcu- lated by means of asymptotic normalization coefficient (ANC) method with the experimental date existing. The results are P=54.73% and 2.1/2.5.2. fm respectively. The P value and the contribution of the asymptotic part to the 2.1/2.are compared with those of several other low energy states in 2.Na. It is found that the valence particle in the third excited state has an obvious larger P than those of other states. The density distribution of the valence proton in this state is also compared with the nucleons in the nuclear core 2.Ne, and a far extended tail can be seen clearly. These results show that the third ex- cited state in 2.Na is a proton halo state.

关键词：钠第三激发态外部结构有效半径密度分布渐近标准化系数

Fluorescence response of hypocrellin B to the environmental changes in a mimic biological membrane——liposome

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Science china Chemistry 2004年第4期47卷 335-339页

作者： JIN Xuanye1,2. ZHAO Yuewei1, XIE Jie1 & ZHAO Jingquan1 1. CAS Key Laboratory of Photochemistry, center for molecular Science, Institute of Chemistry, Chinese Academy of Science, {2. 100080, china 2. School of Earth Sciences and Resources, china univer.ity of Geosciences, {2. 100083, china 1. CAS Key Laboratory of Photochemistry Center for Molecular Science Institute of Chemistry Chinese Academy of Science 100080 Beijing China 2. School of Earth Sciences and Resources China University of Geosciences 100083 Beijing China

Liposome is well known as not only a drug-delivery system but also a simple model for biological membranes. It was reported that fluorescence properties of hypocrellins were changeable over some extreme pH values. In the current work, the effects of the microenvironments on the fluorescence properties of HB in liposome, including approximately physiological range of pH values pH = 6.0-8.0, concentration of cholesterols and ionic strength of the solution, were studied. It was found that the fluorescence intensity of HB was sensitive to and also regulated by the microenvironments. When concentration of cholesterols and ionic strength keep invariable in PBS solution, there exists the maximum for the fluorescence of HB-liposome at pH 7.4 while the minimum for that of HB at pH 7.0. In addition, when pH value keeps constant (7.2., there exists the maximum at the ionic strength of 0.12.mol/kg while that at the concentration of 6×10?4 mol/L for cholesterols. On the other hand, in PBS solution, the lower the ionic strength is, the higher the fluorescence intensity is. The environment-sensitive fluorescence may be potentially applicable to probe some specific environmental features in cells or tissues.

关键词： microenvironment hypocrellin B liposome fluorescence

AFM study on the adsorption and aggregation behavior of dissolved humic substances on mica

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Science china Chemistry 2006年第3期49卷 256-266页

作者： GE Xiaopeng1, ZHOU Yanmei2. Lü Chunhua1 & TANG Hongxiao1 1. State Key Laboratory of Environmental Aquatic Chemistry, Research center for Eco-Environmental Sciences, Chinese Academy of Sciences, beijing 100085,{2. 2. School of Civil Engineering & Architecture, beijing Jiaotong univer.ity, beijing 100044,{2. 1. State Key Laboratory of Environmental Aquatic Chemistry Research Center for Eco-Environmental Sciences Chinese Academy of Sciences Beijing 100085 China 2. School of Civil Engineering & Architecture Beijing Jiaotong University Beijing 100044 China

Humic substances constitute the major organic fractions of soils, sediments and natural waters, and play a dominant role in the binding, mobilization, transport and ultimate fate of organic contaminants in subsurface systems. In this paper, two humic acid samples, Guanting and Tianjin, with different origin and chemical compositions have been investigated with AFM imaging for their adsorption and aggregation behaviors on mica. While the Tianjin humic sample is found to form small spheres with 2.0 to 330 nm in diameter at lower concentrations, irregular loop-chain assemblies of hundreds of nanometer in diameter with the chain width of about 40 nm are dominant for the Guanting humic sample, which may attribute to the more polar aliphatic fractions in the chemical composition in the latter. The heterogeneous and polydisperse nature of humic substances with multiple structural features, such as sponge-like structures, perforated sheets, aggregate of spheres, branches and chain-like assemblies etc., is apparent at higher concentrations for both humic samples, showing morphologically new evidence for the dominant view of the humic dual-mode sorption model. With naphthalene introduced, the assemblies of Guanting humic substances clearly become more compact with significantly narrowed branches and less porous the perforated sheet-like structures. It is indica- tive of that smaller nanometer scale rings present along the perforated assemblies could potentially represent hydrophobic domains, which may facilitate the adsorption and aggregation of naphthalene onto the natural particle surfaces and therefore lead to an important role of dissolved humic sub- stances in the sorption of environmental pollutants.

关键词： atomic force microscopy (AFM) dissolved humic substances morphology aggregation adsorption

Absence of State Collapse and Revival in a Superconducting Charge Qubit

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Communications in Theoretical Physics 2007年第12期48卷 1029-1032页

作者： HUO Wen-Yi~1 and LONG Gui-Lu~(1,2.3)~1 Department of Physics amd Key Laboratory for Quantum Information and Measurements,tsinghua univer.ity,{2.100084,china~2.Key Laboratory for atomic and molecular nanosciences,tsinghua univer.ity,{2. 100084,china~3 National Laboratory for Information Science and Technology,Hsinghua univer.ity,{2. 100084,china Department of Physics amd Key Laboratory for Quantum Information and Measurements Tsinghua University Key Laboratory for atomic and molecular {2. Tsinghua University National Laboratory for Information Science and Technology Hsinghua Univers

The Hamiltonian of a superconducting charge qubit with a configuration of dc SQUID contains an interac-tion between the LC oscillator part and charge *** interaction may leads to quantum state collapse and revivalwhich degrades the charge qubits and leads to serious *** analysis shows that the existing charge qubitparameters do not lead to this phenomenon,which is very good for the superconducting charge

关键词： quantum computer superconducting charge qubit absence and revival

molecular dynamics simulation of kink in 〈100〉 edge dislocation in body centred cubic iron

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Chinese Science Bulletin 2007年第16期52卷 2291-2296页

作者： CHEN LiQun1,2.WANG ChongYu2.3,4 & YU Tao2.1 College of Sciences,Central South univer.ity of Forestry & Technology,Changsha 410004,china 2.Central Iron and Steel Research Institute,{2. 100081,china 3 Department of Physics,tsinghua univer.ity,{2. 100084,china 4 International center for Materials Physics,Chinese Academy of Sciences,Shenyang 110016,china College of Sciences Central South University of Forestry and Technology Changsha 410004 China

Using the molecular dynamics method,we have constructed two kink models corresponding to the 〈100〉{010} and 〈100〉{011} edge dislocations (EDs) in body centred cubic (bcc) Fe. It is found that the geometric structure of a kink depends on the type of edge dislocation and the structural energies of the atoms sites in the dislocation core region. The formation energies,migration energies and widths of the kinks in different types of EDs are calculated. The results show that formation and migration of the kink in the 〈100〉{010} edge dislocation are difficult. The 〈100〉{011} edge dislocation moves primarily through kink nucleation,rather than kink migration.

关键词：分子动力学边缘位移铁纽结结构

PHASE STRUCTURE AND PROPERTIES OF EPOXY RESIN MODIFIED BY POLYSILOXANE BEARING PENDANT AMINO GROUPS

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Chinese Journal of Polymer Science 2000年第2期18卷 133-138页

作者： Bing Zhang Xiang-luan Liu Ying Huang center of molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, {2. 100080, china Chinese Acad Sci Inst Chem Ctr Mol Sci Beijing 100080 Peoples R China

Polysiloxane-modified epoxy resins were prepared through the reaction of epoxy resin with polydimethylsiloxanes bearing pendant N-(beta-aminoethyl)-gamma-aminopropyl groups. The morphology and properties of the cured epoxy resins modified by the polysiloxanes were investigated. It was found that the phase structure and properties of the cured epoxy resins depend mainly on the amino group content in the polydimethylsiloxane and the level of the modifier. The change of phase structure in the cured epoxy resin systems was responsible for the dramatic change in their mechanical and surface properties.

关键词： phase structure polysiloxane epoxy resin mechanical property

The effect of hydrogen on the electronic structure of kink in bcc iron

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Science china(Technological Sciences) 2009年第5期52卷 1212-1218页

作者： CHEN LiQun1,QIU ZhengChen1,YU Tao2.& WANG ChongYu2.3,4 1 College of Sciences,Central South univer.ity of Forestry and Technology,Changsha 410004,china 2.Central Iron and Steel Research Institute,{2. 100081,china 3 Department of Physics,tsinghua univer.ity,{2. 100084,china 4 International center for Materials Physics,Chinese Academy of Sciences,Shenyang 110016,china 1. College of Sciences Central South University of Forestry and Technology Changsha 410004 China 2. Central Iron and Steel Research Institute Beijing 100081 China 3. Department of Physics Tsinghua University Beijing 100084 China 4. International center for Materials Physics Chinese Academy of Sciences Shenyang 110016 China

The electronic structures of kinks in the [100](010) and 1/2.111](-110) edge dislocations in bcc iron containing hydrogen are investigated by means of the first-principles DMol method and the discrete variational *** effects of hydrogen on the kinks are *** results show that hydro-gen forms weak bonding states with its neighboring host atoms,and since hydrogen draws charge from its neighboring host atoms,the interactions between most of the host atoms are weakened com-pared with those of the corresponding atomic pairs in the clean *** indicates that the migration of kink,*** motion of dislocation,is easier in the doping hydrogen kink than in the clean kink,which may be the solid solution softening effect resulting from the impurity hydrogen.

关键词： electronic structure dislocation kink impurity