Table of Contents

• Cover and Table of Contents for Vol.29 No. 4
• 2013, 29 (04): 0.

• 1157Abstract/Metrics
• 1496 PDF(4530KB)

REVIEW

• Graphene-Like Molybdenum Disulfide and Its Application in Optoelectronic Devices
• TANG Peng, XIAO Jian-Jian, ZHENG Chao, WANG Shi, CHEN Run-Feng
• Graphene-like molybdenum disulfide (MoS2), which is composed of a monolayer or few layers of MoS2, is a new two-dimensio...
• 2013, 29 (04): 667-677. DOI: 10.3866/PKU.WHXB201302062

• 7960Abstract/Metrics
• 9419 PDF(2296KB)

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

• Phase Behaviors of 1-Butyl-3-methylimidazolium Hexafluorophosphate+Water+Alcohol Systems
• NING Hui, HOU Min-Qiang, MEI Qing-Qing, YANG De-Zhong, HAN Bu-Xing
• The phase behaviors of 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim] [PF6]) + water+methanol, [bmim][PF6]+wate...
• 2013, 29 (04): 678-682. DOI: 10.3866/PKU.WHXB201301314

• 5881Abstract/Metrics
• 1462 PDF(480KB)

• Temperature Dependence of C₂(X¹Σ_g⁺) in Reactions with Unsaturated Hydrocarbons
• HU Ren-Zhi, XIE Pin-Hua, ZHANG Qun, SI Fu-Qi, CHEN Yang
• Bimolecular rate constants for the gas-phase reactions of C2(X1Σg+) with unsaturated hydrocarbons C2H4 and C2H2 we...
• 2013, 29 (04): 683-688. DOI: 10.3866/PKU.WHXB201302046

• 3058Abstract/Metrics
• 1169 PDF(1056KB)

• Pyrolysis of n-Decane and Dimethylbenzene under Supercritical Pressure
• ZHOU Hao, MAO Jia, WANG Bi-Yao, ZHU Quan, WANG Jian-Li, LI Xiang-Yuan
• The pyrolysis of n-decane and dimethylbenzene under supercritical pressure was studied using a continuous flow reactor. ...
• 2013, 29 (04): 689-694. DOI: 10.3866/PKU.WHXB201302061

• 3326Abstract/Metrics
• 1915 PDF(1170KB)

• Femtosecond Two-Dimensional Infrared Spectroscopy of N-Ethypropionamide
• SHI Ji-Pei, ZHAO Juan, YANG Fan, WANG Jian-Ping
• Femtosecond two-dimensional infrared (2D IR) spectroscopy, steady-state infrared spectroscopy, and computational methods...
• 2013, 29 (04): 695-700. DOI: 10.3866/PKU.WHXB201302213

• 3036Abstract/Metrics
• 1358 PDF(1013KB)

• Synthesis, Structure and Magnetic Properties of Iron(II) Sulfate Containing Hydrazine
• WANG Yan-Jun, JIA Li-Hui, WANG Bing-Wu
• A novel transition metal iron(II) sulfate containing hydrazine (N2H4) ligand: [Fe(N2H5)2(SO4)2]n (1), is prepared by a h...
• 2013, 29 (04): 701-705. DOI: 10.3866/PKU.WHXB201302212

• 2983Abstract/Metrics
• Supporting Info
• 1163 PDF(760KB)

THEORETICAL AND COMPUTATIONAL CHEMISTRY

• Relationship between Molecular Configuration and Phase Behavior of Partially Hydrolyzed Hydrophobically Modified Polyacrylamide
• YUAN Rui, LI Ying, FANG Hong-Bo, WANG Wei
• The relationship between the molecular configuration and bulk behavior of partially hydrolyzed hydrophobically modified ...
• 2013, 29 (04): 706-714. DOI: 10.3866/PKU.WHXB201301313

• 2958Abstract/Metrics
• 2032 PDF(1165KB)

• Molecular Dynamics Simulation of Heterogeneous Nucleation of Argon Vapor onto a Spherical Solid Particle
• SONG Fenhong, LIU Chao, ZHOU Xuan
• Heterogeneous nucleation often occurs in the atmosphere, but its microscopic mechanism is mostly unknown. In our work, m...
• 2013, 29 (04): 715-722. DOI: 10.3866/PKU.WHXB201301312

• 3765Abstract/Metrics
• 1376 PDF(3531KB)

• Theoretical Investigation of Structure-Sensitivity of Styrene Epoxidation on Ag(111) and Ag(110) Surfaces
• WANG Chen, WEI Zi-Zhang, LÜ Yong-Kang, XING Bin, WANG Gui-Chang
• The selective oxidation of styrene on oxygen-covered Ag(110) and Ag(111) surfaces is studied by density functional theor...
• 2013, 29 (04): 723-730. DOI: 10.3866/PKU.WHXB201302043

• 3594Abstract/Metrics
• Supporting Info
• 1490 PDF(1513KB)

• Optically Active Sum Frequency Generation of Amino Acid Molecules
• YING Xiao, LI Hong-Gang, LIU Hai-Yang, WANG Hui, JI Liang-Nian
• Optically active sum frequency generation (OA-SFG) spectra of a series of chiral amino acid molecules are simulated with...
• 2013, 29 (04): 731-736. DOI: 10.3866/PKU.WHXB201302044

• 3361Abstract/Metrics
• 1385 PDF(744KB)

• Structure and Potential Energy Function of ClF^- Molecular Ion
• LI Song, CHEN Shan-Jun, ZHU De-Sheng, WEI Jian-Jun
• The molecular structure of the ground electronic state (X2Σ+) of 35ClF- and 37ClF- molecular ions have been calcul...
• 2013, 29 (04): 737-744. DOI: 10.3866/PKU.WHXB201301311

• 4168Abstract/Metrics
• 1681 PDF(791KB)

• Photophysical Properties of a Red-Shift Cu(II) Ratiometric Fluorescent Chemosensor
• CUI Li-Li, ZHOU Dan-Hong, LI Miao-Miao
• Density functional theory (DFT) and time-dependent DFT (TDDFT) were used to study the photophysical properties of N-buty...
• 2013, 29 (04): 745-753. DOI: 10.3866/PKU.WHXB201302064

• 4211Abstract/Metrics
• 2753 PDF(3707KB)

• Isomerization Mechanismof Xylene Catalyzed by H-ZSM-5 Molecular Sieve
• LI Ling-Ling, NIE Xiao-Wa, SONG Chun-Shan, GUO Xin-WenP
• The isomerization mechanism of xylene over H-ZSM-5 molecular sieve has been examined using the density functional theory...
• 2013, 29 (04): 754-762. DOI: 10.3866/PKU.WHXB201302063

• 4018Abstract/Metrics
• 2036 PDF(1209KB)

ELECTROCHEMISTRY AND NEW ENERGY

• Synthesis and Electrochemical Characterization of Ge⁴⁺, Sn⁴⁺ Doped Spinel LiMn₂O₄
• XIONG Li-Long, XU You-Long, TAO Tao
• Spinel LiMn2O4 materials doped with tetravalent cations Ge4+ and Sn4+ were synthesized through solid-state reaction. Ana...
• 2013, 29 (04): 763-769. DOI: 10.3866/PKU.WHXB201302211

• 2629Abstract/Metrics
• 1853 PDF(1437KB)

CATALYSIS AND SURFACE SCIENCE

• Effect of Silver Content on Catalytic Performances of SiO₂-Supported Silver Tungstophoric Acid for the Synthesis of Polytetrahydrofuran
• ZHANG Po, HUANG Ming, CHU Wei, LUO Shi-Zhong, LI Tong
• A series of supported silver salts of heteropolyacid AgxH3-xPW/SiO2 (x=0.5, 1.0, 1.5, 2.0, 2.5, 3.0) were synthesized an...
• 2013, 29 (04): 770-776. DOI: 10.3866/PKU.WHXB201301152

• 3069Abstract/Metrics
• 1830 PDF(1645KB)

• Preparation, Characterization and Combustion Catalytic Action of Bismuth/Zirconium Gallate
• ZHAO Feng-Qi, ZHANG Heng, AN Ting, ZHANG Xiao-Hong, YI Jian-Hua, XU Si-Yu, WANG Ying-Lei
• Bismuth/zirconium gallate (Gal-BiZr) was synthesized from gallic acid, bismuth nitrate, and zirconyl nitrate firstly, an...
• 2013, 29 (04): 777-784. DOI: 10.3866/PKU.WHXB20130111

• 3460Abstract/Metrics
• 1317 PDF(703KB)

• Synthesis and Catalytic Activity of Silver Nanoparticles Immobilized onto Composite Microspheres
• HAO Min-Min, LI Chen, YU Min, ZHANG Ying
• P(NIPAM-co-AA) copolymer microgels with temperature and pH sensitivities were synthesized by copolymerization of N-isopr...
• 2013, 29 (04): 785-791. DOI: 10.3866/PKU.WHXB201302042

• 4844Abstract/Metrics
• 2213 PDF(2383KB)

• Catalytic Performance of Heat-Treated Fe-Melamine/C and Fe-g-C₃N₄/C Electrocatalysts for Oxygen Reduction Reaction
• LI Shang, WANG Jia-Tang, CHEN Rui-Xin, ZHAO Wei, QIAN Liu, PAN Mu
• Melamine and its polymer (g-C3N4) were used as ligands to prepare Fe-N/C electrocatalysts for the oxygen reduction react...
• 2013, 29 (04): 792-798. DOI: 10.3866/PKU.WHXB201302221

• 3851Abstract/Metrics
• 4213 PDF(7445KB)

• Fe3O4 Modified Alumina Supported Ruthenium Catalyst for Novel In-situ Liquid Phase Catalytic Hydrogenation
• CHEN Ao-Ang, XU Xiang-Sheng, HUA Yan-Xiang, GU Hui-Zi, YAN Xin-Huan
• Ru-Fe3O4/γ-Al2O3 was synthesized by stepwise impregnation method and applied to the in-situ liquid phase selective...
• 2013, 29 (04): 799-805. DOI: 10.3866/PKU.WHXB201302052

• 3908Abstract/Metrics
• 1959 PDF(1413KB)

• Effect of Pretreatment Routes on the Performance and Structure of Ni-Co Bimetallic Catalysts
• ZHAO Jian, ZHOU Wei, XU Jun-Ke, MA Jian-Xin
• Ni-Co/La2O3-γ-Al2O3 catalysts for biogas reforming were prepared by conventional incipient wetness impregnation an...
• 2013, 29 (04): 806-812. DOI: 10.3866/PKU.WHXB201301315

• 3066Abstract/Metrics
• 1375 PDF(482KB)

• Significantly Improved Visible Light Photocatalytic Activity of γ-Bi₂MoO₆ by Surface Modification with Cu₂O Nanoparticles
• YANG Zi-Rong, HAN Yu-Qi, WANG Fang, LIU Qian, ZHANG Yang, MIN Shi- Xiong
• Nanosized cuprous oxide (Cu2O) was used to modify the surface of γ-Bi2MoO6, resulting in highly efficient visible-...
• 2013, 29 (04): 813-820. DOI: 10.3866/PKU.WHXB201301151

• 4336Abstract/Metrics
• 2094 PDF(2449KB)

• Preparation and Properties of Polymeric Nano Composite Filmon Surface of Sintered NdFeB Permanent Magnet
• LIU Qin, KANG Zhi-Xin, FANG Gang
• A nanofilm (TES-SAMs) was prepared by self-assembly of 6-(3-triethoxysilylpropylamino)-1,3, 5-triazine-2,4-dithiol monos...
• 2013, 29 (04): 821-828. DOI: 10.3866/PKU.WHXB201301102

• 3579Abstract/Metrics
• 1277 PDF(389KB)

• Elimination of Bisphenol A from Water via Graphene Oxide Adsorption
• XU Jing, ZHU Yong-Fa
• The elimination of bisphenol A (BPA) from aqueous solution by adsorption on graphene oxide (GO) was investigated. The ma...
• 2013, 29 (04): 829-836. DOI: 10.3866/PKU.WHXB201301211

• 5341Abstract/Metrics
• Supporting Info
• 2519 PDF(611KB)

• Adsorption and Decomposition of NO₂ on Ag/Pt(110) Bimetallic Surface
• LI Jin-Bing, JIANG Zhi-Quan, HUANG Wei-Xin
• The adsorption and decomposition of NO2 on Ag/Pt(110) bimetallic surfaces have been investigated by Auger electron spect...
• 2013, 29 (04): 837-842. DOI: 10.3866/PKU.WHXB201301241

• 3119Abstract/Metrics
• 1443 PDF(528KB)

BIOPHYSICAL CHEMISTRY

• Molecular Dynamics Simulations of the Unbinding of Phenylsulfonamide from Carbonic Anhydrase II
• SUN Wei-Qi, ZHANG Ji-Long, ZHENG Qing-Chuan, SUN Zhi-Wei, ZHANG Hong-Xing
• Molecular dynamics (MD) simulations and free energy calculations were integrated to investigate substrate-enzyme dynamic...
• 2013, 29 (04): 843-848. DOI: 10.3866/PKU.WHXB201301183

• 3249Abstract/Metrics
• 1939 PDF(1398KB)

• Standing Orientation of Lysozymes Induced by Electrostatically Repulsive Surface
• BAI Shu, LI Hao, ZHANG Lin
• Inhibition of protein aggregation during protein refolding is a fundamental issue in the production of recombinant thera...
• 2013, 29 (04): 849-857. DOI: 10.3866/PKU.WHXB201301182

• 3071Abstract/Metrics
• 1427 PDF(1400KB)

PHYSICAL CHEMISTRY OF MATERIALS

• Growth Mechanism and Characterization of Flexible TiO₂ Nanowhisker Films Hydrothermally Synthesized in Dilute Alkaline Solution
• DENG Jie, TAO Jie, WU Tao, TAO Hai-Jun
• Flexible oriented TiO2 nanowhisker films with large aspect ratios were hydrothermally prepared in 1 mol·L-1 NaOH ...
• 2013, 29 (04): 858-866. DOI: 10.3866/PKU.WHXB201302041

• 3148Abstract/Metrics
• 1909 PDF(2341KB)

• Surface Plasmon Resonance Sensing Properties of Nanoporous Gold Thin Films
• ZHANG Zhe, LU Dan-Feng, QI Zhi-Mei
• Nanoporous gold films were prepared by immersing Au-Ag alloy films with a thickness of ca 60 nm sputtered on glass subst...
• 2013, 29 (04): 867-873. DOI: 10.3866/PKU.WHXB201302222

• 3455Abstract/Metrics
• 2509 PDF(2155KB)

• Porous ZnO Sheets Transformed from Zinc Sulfate Hydroxide Hydrate and Their Photoluminescence Performance
• HE Peng, GAO Xiang-Dong, WU Li-Bin, JIANG Zheng-Wu, WANG Cai-Lu, LI Xiao-Min
• Highly crystalline, porous ZnO sheets were prepared from chemically-deposited zinc sulfate hydroxide hydrate (ZSH) sheet...
• 2013, 29 (04): 874-880. DOI: 10.3866/PKU.WHXB201302045

• 4219Abstract/Metrics
• 1804 PDF(1726KB)

• Preparation and Properties of Monodisperse SnO₂ Hollow Micro/Nano Spheres
• CAI Hong-Min, REN Su-Zhen, WANG Meng, JIA Cui-Ying
• Templating is one of the most important methods for preparation of inorganic hollow micro/ nano spheres. We prepared mon...
• 2013, 29 (04): 881-888. DOI: 10.3866/PKU.WHXB201302051

• 3120Abstract/Metrics
• 2059 PDF(1545KB)