Table of Contents

• Cover and Table of Contents for Vol.26 No. 09
• 2010, 26 (09): 0-0

• 1289Abstract/Metrics
• 1680 PDF(6801KB)

THERMODYNAMICS,THERMOCHEMISTRY AND SOLUTION CHEMISTRY

• Structure of Supersaturated Aqueous SodiumPentaborate Solution
• ZHOU Yong-Quan, FANG Chun-Hui, FANG Yan
• We determined the time-averaged and space-averaged structures of supersaturated aqueous sodiumpentaborate solutions by r...
• 2010, 26 (09): 2323-2330 DOI: 10.3866/PKU.WHXB20100903

• 4415Abstract/Metrics
• 2000 PDF(1215KB)

CHEMICAL KINETICS AND MOLECULE DYNAMICS

• Ab initioMolecular Dynamics Investigation on the Production Channels for the Reaction of O^- with CH₃F
• WU Li-Xia, YU Feng, LIU Jing, DAI Jing-Hua, ZHOU Xiao-Guo, LIU Shi-Lin
• H-atom abstraction and H2O production channels for the reaction of O- with CH3F were reinvestigated using the ab initio ...
• 2010, 26 (09): 2331-2336 DOI: 10.3866/PKU.WHXB20100907

• 3550Abstract/Metrics
• 1543 PDF(545KB)

ELECTROCHEMISTRY

• Electrocatalytic Oxidation of Formic Acid on Pt-Se HollowNanosphere Modified Glassy Carbon Electrodes
• YAN Liang-Liang, JIANG Qing-Ning, LIU De-Yu, ZHONG Yan, WEN Fei-Peng, DENG Xiao-Cong, ZHONG Qi-Ling, REN Bin, TIAN Zhong-Qun
• Platinum-selenium and platinum hollow nanospheres (denoted as (Pt-Se)HN and PtHN, respectively) with different coverages...
• 2010, 26 (09): 2337-2342 DOI: 10.3866/PKU.WHXB20100835

• 5588Abstract/Metrics
• 1865 PDF(1274KB)

• Photoelectrochemical Properties of Cubic Tungsten Trioxide Films Obtained by the Polymeric Precursor Method
• LI Wen-Zhang, LI Jie, WANG Xuan, ZHANG Shu-Juan, CHEN Qi-Yuan
• WO3 films were prepared using ammonium metatungstate as the precursor and polyethylene glycol 1000 as the structure-dire...
• 2010, 26 (09): 2343-2348 DOI: 10.3866/PKU.WHXB20100904

• 3174Abstract/Metrics
• 2102 PDF(1490KB)

• Photogenerated Cathodic Protection Properties of a TiO₂ Nanowire FilmPrepared by a Hydrothermal Method
• ZHU Yan-Feng, DU Rong-Gui, LI Jing, QI Hai-Qing, LIN Chang-Jian
• A TiO2 film was synthesized on the surface of a Ti substrate by a hydrothermal method, followed by acid treatment and ca...
• 2010, 26 (09): 2349-2353 DOI: 10.3866/PKU.WHXB20100913

• 3150Abstract/Metrics
• 1660 PDF(1028KB)

• Influence of Organic Inhibitors on the Corrosion Behavior of Steel Rebar insideMortar Specimens Immersed in Saturated NaCl Solution
• ZHENG Lei-Gang, YANG Huai-Yu
• The long-term effects of four kinds of amine-alcohol based inhibitors on the corrosion behavior of steel rebar inside mo...
• 2010, 26 (09): 2354-2360 DOI: 10.3866/PKU.WHXB20100905

• 3120Abstract/Metrics
• 1714 PDF(1613KB)

• Electrochemical Corrosion Behaviors of Rusted Carbon Steel
• ZOU Yan, WANG Jia, ZHENG Ying-Ying
• Electrochemical methods including polarization curves, linear polarization resistance (LPR), and electrochemical impedan...
• 2010, 26 (09): 2361-2368 DOI: 10.3866/PKU.WHXB20100825

• 3071Abstract/Metrics
• 2028 PDF(2251KB)

• Effect of Current Densities on the Electrochemical Behavior of a Flat Plate Pb-Ag Anode for Zinc Electrowinning
• JIANG Liang-Xing, ZHONG Shui-Ping, LAI Yan-Qing, LüXiao-Jun, HONG Bo, PENG Hong-Jian, ZHOU Xiang-Yang, LI Jie, LIU Ye-Xiang
• We studied the anodic potential, corrosion rate, and anodic passive layer of a flat plate Pb-Ag (0.8% (mass fraction, w)...
• 2010, 26 (09): 2369-2374 DOI: 10.3866/PKU.WHXB20100935

• 3451Abstract/Metrics
• 2131 PDF(2278KB)

• Electrodeposition of Nanocrystalline Nickel Alloys and Their Hydrogen Evolution in Seawater
• SONG Li-Jun, MENG Hui-Min
• Ni, Ni-Fe, and Ni-Fe-C alloy electrodes were prepared by electrodeposition. Polarization curves showed that the Ni-Fe-C ...
• 2010, 26 (09): 2375-2380 DOI: 10.3866/PKU.WHXB20100847

• 3182Abstract/Metrics
• 1745 PDF(2417KB)

• Synthesis of Ferrocenoyl-Labeled Tripeptide Fc-Gly-Pro-Arg(NO₂)-OMe and Its Interaction with Cu(II)
• LIU Xiao-Fang, LI Xue-Qiang, YE Wu-Long, ZHOU Bin-Bin, LIU You-Nian
• N-ferrocenoyl-labeled tripeptide Fc-Gly-Pro-Arg(NO2)-OMe(Fc-GPR) was synthesized from ferrocene-carboxylic acid, glycine...
• 2010, 26 (09): 2381-2386 DOI: 10.3866/PKU.WHXB20100827

• 3109Abstract/Metrics
• 1381 PDF(399KB)

• Nanosized Flame Retarded HydroxideMagnesium/Poly(ethylene-oxide) Composite Polymer Electrolyte
• LI Ya-Juan, ZHAN Hui, LIU Su-Qin, HUANG Ke-Long, ZHOU Yun-Hong
• We prepared nanosized hydroxide magnesium (Mg(OH)2) as a plasticizer and a flame-retarding additive for a poly(ethylene-...
• 2010, 26 (09): 2387-2391 DOI: 10.3866/PKU.WHXB20100818

• 3499Abstract/Metrics
• 1527 PDF(1005KB)

• In situ Ellipsometric Study on the Initial Stages of Porous Anodization of Aluminum
• LEI Jing-Lei, ZHANG Li-Na, LI Ling-Jie, ZHENG Sha, WANG Chao, XIE Zhao-Ming, ZHANG Sheng-Tao
• The initial stages of the anodization of aluminum are influential during the preparation of anodic aluminum oxide nanote...
• 2010, 26 (09): 2392-2396 DOI: 10.3866/PKU.WHXB20100846

• 2982Abstract/Metrics
• 1444 PDF(258KB)

• Influence of Ball-Milling on Hydrogen Storage and Electrochemical Properties of (Ti Cr)_0.497V_0.42Fe_0.083/30%(w) (LaRMg)(NiCoAl)_3.5 Alloy Electrodes
• LUO Yong-Chun, ZHANG Tie-Jun, WANG Duo, KANG Long
• Changes in phase structure, hydrogen storage and electrochemical properties of the (Ti Cr)0.497V0.42Fe0.083+ 30% (w) (La...
• 2010, 26 (09): 2397-2404 DOI: 10.3866/PKU.WHXB20100845

• 2808Abstract/Metrics
• 1844 PDF(1752KB)

• Comparative Study of Electrochemical Performances of Three Carbon-Based ElectrodeMaterials
• ZHOU Yan-Li, ZHI Jin-Fang, ZHANG Xiang-Fei, XU Mao-Tian
• The electrochemical properties of three carbon-based electrodes including boron-doped nanocrystalline diamond (BDND), bo...
• 2010, 26 (09): 2405-2409 DOI: 10.3866/PKU.WHXB20100841

• 3755Abstract/Metrics
• 1797 PDF(509KB)

STRUCTURE CHEMISTRY

• Synthesis, Crystal Structure, Thermal Behavior and Sensitivity of [Mn(AZT)₂(H₂O)₄] (HTNR)₂·4H₂O
• FENG Jin-Ling, ZHANG Jian-Guo, ZHANG Tong-Lai, CUI Yan
• A novel energetic coordination complex of [Mn(AZT)2(H2O)4] (HTNR)2·4H2O (AZT=3-azido-1,2,4- triazole, HTNR=2,4,6-...
• 2010, 26 (09): 2410-2416 DOI: 10.3866/PKU.WHXB20100919

• 5116Abstract/Metrics
• 1860 PDF(861KB)

CATALYSIS AND SURFACE STRUCTURE

• Raman Spectroscopic Study on the Solid-State Reaction of V₂O₅/CeO₂ Catalyst
• WU Yan-Ni, GUO Ming, CHEN Fang, LUO Meng-Fei
• We prepared V2O5 /CeO2 catalysts with different V2O5 loadings (5% and 15%) by incipient wetness impregnation. Raman spec...
• 2010, 26 (09): 2417-2421 DOI: 10.3866/PKU.WHXB20100915

• 2854Abstract/Metrics
• 1426 PDF(1336KB)

• Catalytic Performance of Porous SiO₂·xH₂O Supported RuB Nanoparticles for the Hydrogenation of Quinoline
• ZHANG Lei, HU Bo, CHEN Hua, LI Xian-Jun, LI Rui-Xiang
• A porous and hydroxyl group-rich catalyst RuB/SiO2·xH2O was prepared by hydrolyzing ethyl silicate, protecting Si...
• 2010, 26 (09): 2422-2428 DOI: 10.3866/PKU.WHXB20100901

• 2800Abstract/Metrics
• 1455 PDF(1719KB)

• Effect of Sepiolite on the Combustion and Thermal Decomposition of Intumescent Flame Retardant Polypropylene
• WU Na, DING Chao, YANG Rong-Jie, HAO Jian-Wei
• We added modified sepiolite to a polypropylene (PP)/ammoniumpolyphosphate (APP)/di-pentaerythritol (DPER) composite to s...
• 2010, 26 (09): 2429-2436 DOI: 10.3866/PKU.WHXB20100908

• 3510Abstract/Metrics
• 1872 PDF(1560KB)

• Optimizational Preparation and Mesoporous Material Characteristics of a Novel Biomimetic Photocatalyst and Its Application to the Photocatalytic Degradation of Phenol
• GAO Guan-Dao, LI Jing, ZHANG Ai-Yong, AN Xiao-Hong, ZHOU Lei
• Hexagonal mesoporous silica (HMS) was synthesized using dodecylamine (DDA) or octadecylamine (ODA) as templates which we...
• 2010, 26 (09): 2437-2442 DOI: 10.3866/PKU.WHXB20100910

• 3511Abstract/Metrics
• 1888 PDF(1022KB)

• Preparation, Characterization and Catalytic Activity for ortho- Dichlorobenzene Ozonation of Fe-, Mn-Doped Xerogels
• HUANG Yan, ZHANG Xing-Wang, LEI Le-Cheng
• Metal-doped xerogels were synthesized by the sol-gel method and their catalytic performance was evaluated for the cataly...
• 2010, 26 (09): 2443-2448 DOI: 10.3866/PKU.WHXB20100840

• 3100Abstract/Metrics
• 1295 PDF(1649KB)

• Influence of Tungsten Oxide on Selective Catalytic Reduction of NO_x with NH₃ over MnO_x -CeO₂ /ZrO₂-TiO₂Monolith Catalyst
• XU Hai-Di, QIU Chun-Tian, ZHANG Qiu-Lin, LIN Tao,GONG Mao-Chu, CHEN Yao-Qiang
• MnOx-CeO2/WO3/ZrO2-TiO2monolithic catalyst was prepared by ZrO2-TiO2 as support, MnOx-CeO2 as active components and WO3 ...
• 2010, 26 (09): 2449-2454 DOI: 10.3866/PKU.WHXB20100838

• 3179Abstract/Metrics
• 1600 PDF(261KB)

• Preparation of Au@TiO₂ Catalyst Using Escherichia Coil as the Template and Its Oxidation Reaction Activity toward CO
• LIU Yu-Liang, YOU Cui-Rong, LI Yang, HE Tao, ZHANG Xiang-Qin, SUO Zhang-Huai
• Many microorganisms can adsorb metal ions strongly and even reduce them to their metal states. We studied the adsorption...
• 2010, 26 (09): 2455-2460 DOI: 10.3866/PKU.WHXB20100909

• 3421Abstract/Metrics
• 1451 PDF(975KB)

• Preparation, Hydrodesulfurization and Hydrodenitrogenation Performance of a Ni₂P/TiO₂-Al₂O₃ Catalyst
• SONG Hua,GUO Yun-Tao, LI Feng ,YU Hong-Kun
• We prepared a TiO2-Al2O3 complex support by the sol-gel method. A nickel phosphide catalyst, Ni2P/ TiO2-Al2O3, was prepa...
• 2010, 26 (09): 2461-2467 DOI: 10.3866/PKU.WHXB20100937

• 3024Abstract/Metrics
• 1703 PDF(509KB)

PHOTOCHEMISTRY AND SPECTROSCOPY

• Au Nanoparticles Based Colorimetric Detection of Conformational Changes in Cytochrome c
• LI Na, ZHOU Jian-Zhang, LIN Ling-Ling, HAN Nan-Nan, LIN Zhong-Hua
• The colors of Au nanoparticles (Au NPs) change along with conformational changes in cytochrome c (Cyt c). We exploited t...
• 2010, 26 (09): 2468-2472 DOI: 10.3866/PKU.WHXB20100923

• 3421Abstract/Metrics
• 1777 PDF(1410KB)

• Effects of Salts on theMicrostructure ofMethanol
• YU Xiao-Chun, LIN Ke, HU Nai-Yin, ZHOU Xiao-Guo, LIU Shi-Lin
• We studied the effects of salts on the microstructure of liquid methanol using the Raman spectra. We compared the excess...
• 2010, 26 (09): 2473-2480 DOI: 10.3866/PKU.WHXB20100922

• 3560Abstract/Metrics
• 1398 PDF(2622KB)

• Photoinduced Electron and Hydrogen Transfer Reactions of Thioxanthone with Amines, Phenols and Alcohols
• SUN Qian, WANG Jin-Ting, ZHANG Li-Min, YANG Mao-Ping
• The quenching reactions of triplet thioxanthone (TX) by a series of amines, phenols, and alcohols were investigated by l...
• 2010, 26 (09): 2481-2488 DOI: 10.3866/PKU.WHXB20100925

• 3141Abstract/Metrics
• 1505 PDF(371KB)

• Role of Pyrite inMaintaining the Reductive Environment of the Near Field for a High-Level RadioactiveWaste Repository
• CHEN Tao, TIAN Wen-Yu, LI Chun, LIU Xiao-Yu, WANG Lu-Hua, SUN Mao, ZHENG Zhong, ZHU Jian-Bo, LIU Chun-Li
• The influence of pyrite irradiated by γradiation from 60Co on the reductive environment of groundwater was investi...
• 2010, 26 (09): 2489-2493 DOI: 10.3866/PKU.WHXB20100917

• 2684Abstract/Metrics
• 1272 PDF(938KB)

QUANTUM CHEMISTRY AND COMPUTATION CHEMISTRY

• QSPRModel Analysis on the Solubility of Organic Compounds in Ionic Liquids
• PAN Shan-Fei, HU Gui-Xiang, LV Yang, ZOU Jian-Wei, YU Qing-Sen
• A quantitative structure-property relationship (QSPR) study on the solubility of 84 organic compounds in 4 different ion...
• 2010, 26 (09): 2494-2502 DOI: 10.3866/PKU.WHXB20100902

• 3966Abstract/Metrics
• 1712 PDF(819KB)

• Adsorption of Linear C₂-C₅ Olefins on HYand H-ZSM-5 Zeolites
• GUO Yu-Hua, PU Min, CHEN Biao-Hua
• The adsorption properties of linear C2-C5 olefins on HY and H-ZSM-5 zeolites were studied by the ONIOM(B3LYP/6-311++G(d,...
• 2010, 26 (09): 2503-2509 DOI: 10.3866/PKU.WHXB20100839

• 3857Abstract/Metrics
• 1451 PDF(1157KB)

• Structural, Electronic andMagnetic Properties of the Ge_nEu (n=1-13) Clusters
• JING Qun, GE Gui-Xian, CAO Hai-Bin, HUANG Xu-Chu, LIU Xiao-Yong, YAN Hong-Xia
• The growth pattern and magnetic properties of the GenEu (n=1-13) clusters have been investigated using the density funct...
• 2010, 26 (09): 2510-2514 DOI: 10.3866/PKU.WHXB20100926

• 2876Abstract/Metrics
• 1980 PDF(579KB)

• Electronic Structures and Spectral Properties of 3-Pyrrolidinobenzanthrone
• CHEN Ben, HE Rong, XING LI Ming
• Benzanthrone derivatives show great potential for use as new luminescent, nonlinear optical, and liquid crystalline mate...
• 2010, 26 (09): 2515-2522 DOI: 10.3866/PKU.WHXB20100843

• 3552Abstract/Metrics
• 1790 PDF(728KB)

• ElectronMomentumSpectroscopy for Saturated Alkanes C_nH_2n+2(n=4-6)
• YANG Ze-Jin, GUO Yun-Dong, ZHU Zheng-He, YANG Xiang-Dong
• Orbital electron momentum spectroscopies for saturated alkanes CnH2n+2(n=4-6) were systematically studied using the B3LY...
• 2010, 26 (09): 2523-2528 DOI: 10.3866/PKU.WHXB20100924

• 2766Abstract/Metrics
• 1418 PDF(2293KB)

• Carrier Injection Property of Fluorene-Aromatic Nitrogen Heterocycle Copolymers
• SUN Guan-Nan, XU Hai, LIU Xiao-Dong, LIU Dan-Dan,YANG Bing, TIAN Lei-Lei, MA Yu-Guang
• To improve the carrier-injection of polyfluorene, oligomers of polyfluorene, fluorene-bipyridine, and fluorene-phenanthr...
• 2010, 26 (09): 2529-2534 DOI: 10.3866/PKU.WHXB20100831

• 3208Abstract/Metrics
• 1354 PDF(1026KB)

• Density Functional Theory Study on N—O Bond Dissociation Enthalpies
• ZHENG Wen-Rui, XU Jing-Li, XIONG Rui
• A number of density functional theory (DFT) methods were compared for the calculation of N—O bond dissociation ent...
• 2010, 26 (09): 2535-2542 DOI: 10.3866/PKU.WHXB20100931

• 3956Abstract/Metrics
• 1712 PDF(939KB)

• Structures of the Triplet Silylenoid HB=SiLiF and Its Insertion Reactions with R—H(R=F, OH, NH₂)
• LI Wen-Zuo,ZHU Hong-Jie, CHENG Jian-Bo, LI Qing-Zhong, GONG Bao-An
• Density functional theory (DFT) and quadratic configuration interaction with single and double excitations (QCISD) metho...
• 2010, 26 (09): 2543-2548 DOI: 10.3866/PKU.WHXB20100830

• 2692Abstract/Metrics
• 1113 PDF(233KB)

BIOPHYSICAL CHEMISTRY

• Molecular Simulations of the Inhibition of Active Components in Traditional ChineseMedicine on the Thromboxane A2 Receptor
• LIU Hai-Bo, CUI Wei, XU Jun, PENG Yong, ZHOU Jia-Ju, XIAO Pei-Gen
• Some natural products from traditional Chinese medicine (TCM) such as flavones and resveratrol have been reported to hav...
• 2010, 26 (09): 2549-2556 DOI: 10.3866/PKU.WHXB20100844

• 3356Abstract/Metrics
• 2037 PDF(3017KB)

PHYSICAL CHEMISTRY OF MATERIALS

• Biomolecule-Assisted Hydrothermal Synthesis and Optical Properties of Cu₇S₄ Nanotubes
• GUO Pei-Zhi, HAN Guang-Ting, WANG Bao-Yan, ZHAO Xiu-Song
• Cu7S4 nanotubes were synthesized using a biomolecule DL-methionine-assisted hydrothermal method. The morphology and phas...
• 2010, 26 (09): 2557-2562 DOI: 10.3866/PKU.WHXB20100834

• 3043Abstract/Metrics
• 1614 PDF(2084KB)

• Field Emission Properties of Aligned ZnO Nanowire Arrays Prepared by Simple Solution-PhaseMethod
• ZHANG Huan, LI Meng-Ke, ZHANG Jing, YU Li-Yuan, LIU Ling-Ling, YANG Zhi
• One-dimensional (1D) aligned ZnO nanowire arrays with different morphologies were synthesized by a solution-phase method...
• 2010, 26 (09): 2563-2568 DOI: 10.3866/PKU.WHXB20100921

• 3069Abstract/Metrics
• 1825 PDF(2983KB)

• Ultrasonic-Assisted Preparation of Bimodal Mesoporous HollowGlobal Tungsten Carbide and Its Electrocatalytic Performance
• CHEN Zhao-Yang, ZHAO Feng-Ming, MA Chun-An, QIAO Yun
• Hollowspherical ammoniummetatungstate (AMT), as a precursor, was prepared by an ultrasonic method. Tungsten carbide (WC)...
• 2010, 26 (09): 2569-2574 DOI: 10.3866/PKU.WHXB20100906

• 2817Abstract/Metrics
• 1543 PDF(2174KB)

• Solution Based Synthesis of ZnO/CdS Composite Nanorod Array Film and Its Photoelectric Properties
• FU Dong-Wei, CHENG Ke, PANG Shan, DU Zu-Liang
• Well-aligned ZnO/CdS composite nanorod array film was grown on an indium tin oxide (ITO) substrate by two-step chemical ...
• 2010, 26 (09): 2575-2580 DOI: 10.3866/PKU.WHXB20100930

• 3148Abstract/Metrics
• 1572 PDF(1811KB)

• Preparation and Release Behavior in vitro of Aspirin/Chitosan Nanospheres by Nucleation and Ionic Crosslinking in Emulsion
• JIN Shu-Ping, FENG Lei, HE Wen-Yan, HAN Yu-Qi, WEI Yu-Juan
• Chitosan (CS) nanosphere loaded aspirin (aspirin/CS) was prepared by nucleation and ionic crosslinking in an emulsion us...
• 2010, 26 (09): 2581-2588 DOI: 10.3866/PKU.WHXB20100842

• 3362Abstract/Metrics
• 1600 PDF(1279KB)