Table of Contents

• Cover and Table of Contents for Vol.27 No. 4
• 2011, 27 (04): 0.

• 1508Abstract/Metrics
• 1628 PDF(8663KB)

Communication

• Electrodeposition and Electrochemical Property of Porous Li-Si Film Anodes for Lithium-Ion Batteries
• Lü Rong-Guan, YANG Jun, WANG Jiu-Lin, NULI Yan-Na
• Porous Li-Si thin films (LSFs) were prepared by a multi-step constant current electrodeposition onto Cu foil. The struct...
• 2011, 27 (04): 759-763. DOI: 10.3866/PKU.WHXB20110415

• 4405Abstract/Metrics
• 2291 PDF(595KB)

• Electrochemical Fabrication and Pseudocapacitive Performance of a Porous Nanostructured Nickel-Based Complex Film Electrode
• KONG De-Shuai, WANG Jian-Ming, PI Ou-Yang, SHAO Hai-Bo, ZHANG Jian-Qing
• A porous nickel film was prepared by the selective anodic dissolution of copper from an electrodeposited Ni-Cu alloy fil...
• 2011, 27 (04): 764-768. DOI: 10.3866/PKU.WHXB20110427

• 4182Abstract/Metrics
• 3005 PDF(586KB)

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

• Penetrating Depth of Laser Focus in a Spherical Droplet during Confocal Raman Measurements
• WANG Feng, ZHANG Yue, ZHANG Yun-Hong
• In this paper we attempt to establish a theoretical model to deal with the laser focusing problem during confocal Raman ...
• 2011, 27 (04): 769-773. DOI: 10.3866/PKU.WHXB20110402

• 3438Abstract/Metrics
• 1583 PDF(981KB)

• Weak Interactions in Asymmetric Porphyrin Systems
• ZHANG Xiao-Hong, GUO Hong-Rui, JIAO Zhi, YAN Wei-Wei, RUAN Wen-Juan, ZHU Zhi-Ang
• The weak interactions of 5-imidazolylmethylphenyl-10,15,20-tri-tert-butylphenylporphyrin (1) and 5-imidazolylmethylpheny...
• 2011, 27 (04): 774-780. DOI: 10.3866/PKU.WHXB20110432

• 3189Abstract/Metrics
• 2165 PDF(3432KB)

THEORETICAL AND COMPUTATIONAL CHEMISTRY

• Vibrational Spectroscopy Criteria to Determine α-Pyridyl Adsorbed on Transition Metal Surfaces
• SU Shu, HUANG Rong, ZHAO Liu-Bin, WU De-Yin, TIAN Zhong-Qun
• Density functional theory calculations at the B3LYP/6-311+G**/LANL2DZ(metal) level were used to predict the infrared (IR...
• 2011, 27 (04): 781-792. DOI: 10.3866/PKU.WHXB20110418

• 3583Abstract/Metrics
• 2050 PDF(4228KB)

• Reaction Mechanism of Acetylene Hydrogenation Catalyzed by Pd₈ Cluster
• LI Jun-Nan, PU Min, HE Shu-Heng, HE Jing, EVANS David G.
• The mechanism of acetylene hydrogenation catalyzed by Pd8 cluster was investigated by density functional theory (DFT) me...
• 2011, 27 (04): 793-800. DOI: 10.3866/PKU.WHXB20110332

• 5436Abstract/Metrics
• 2541 PDF(847KB)

• Anionic Production Pathways Involved in the Reaction between OH^- and CH₂ClF
• SONG Lei, YU Feng, WU Li-Xia, ZHOU Xiao-Guo, LIU Shi-Lin
• The anionic production pathways involved in the reaction between hydroxide anion (OH-) and chlorofluoromethane (CH2ClF) ...
• 2011, 27 (04): 801-807. DOI: 10.3866/PKU.WHXB20110409

• 3785Abstract/Metrics
• 2376 PDF(672KB)

• First-Principles Investigation on the Interaction of Au_n(n=2-9) Clusters with Ethanol
• YU Yong-Jiang, WANG Hua-Yang, YANG Chuan-Lu, CHEN Jian-Nong
• The adsorption property of a single ethanol molecule on Aun(n=2-9) clusters was investigated using density functional th...
• 2011, 27 (04): 808-814. DOI: 10.3866/PKU.WHXB20110407

• 4085Abstract/Metrics
• 1849 PDF(738KB)

• Molecular Dynamics Simulation of the Diffusion Behavior of Water Molecules in Oil and Cellulose Composite Media
• LIAO Rui-Jin, ZHU Meng-Zhao, ZHOU Xin, YANG Li-Jun, YAN Jia-Ming, SUN Cai-Xin
• The diffusion behaviors of water molecules in oil-cellulose composite media were studied at different temperatures using...
• 2011, 27 (04): 815-824. DOI: 10.3866/PKU.WHXB20110341

• 4364Abstract/Metrics
• 2990 PDF(11279KB)

• Dynamics Simulation of a New Deactivation Pathway for Stacked Adenines
• YUAN Shuai, ZHANG Wen-Ying, LI An-Yang, ZHU Yi-Min, DOU Yu-Sheng
• A semiclassical dynamics simulation study was undertaken to investigate the deactivation of the lowest excited state of ...
• 2011, 27 (04): 825-830. DOI: 10.3866/PKU.WHXB20110337

• 2933Abstract/Metrics
• 1515 PDF(4672KB)

• Stability and Aromaticity of XB₆⁺ (X=C, Si, Ge, Sn, Pb) Clusters
• GONG Liang-Fa, WU Xin-Min, LI Wei, QI Chuan-Song
• The geometries, stability and chemical bonding of XB6+(X=C, Si, Ge, Sn, Pb) clusters were investigated using ab initio (...
• 2011, 27 (04): 831-836. DOI: 10.3866/PKU.WHXB20110412

• 4039Abstract/Metrics
• 1756 PDF(582KB)

• Structure, Spectroscopy and Reactivity of H₂S Bonding to Metal(II) Porphyrins
• ZHONG Ai-Guo, HUANG Ling, JIANG Hua-Jiang
• We investigated eight divalent metal cations M(II) (M=Ca, Mg, Mn, Zn, Cu, Ni, Fe, Co) for the formation of singly H2S-bo...
• 2011, 27 (04): 837-845. DOI: 10.3866/PKU.WHXB20110323

• 4016Abstract/Metrics
• 1910 PDF(4513KB)

• Electronic Structures and Optical Properties of the O Vacancy in ZnO
• CHENG Li, ZHANG Zi-Ying, SHAO Jian-Xin
• The electronic structures and optical properties of ZnO0.875 were calculated by the ultra-soft pseudo-potential plane wa...
• 2011, 27 (04): 846-850. DOI: 10.3866/PKU.WHXB20110324

• 5937Abstract/Metrics
• 2654 PDF(662KB)

• Adhesion of Small Cu_x (x=1-4) Clusters on a CeO₂(111) Surface
• YANG Zong-Xian, XIE Luo-Gang
• We investigated the adhesion behavior of Cu clusters (Cux, x=1-4) on a CeO2(111) surface using first-principles density ...
• 2011, 27 (04): 851-857. DOI: 10.3866/PKU.WHXB20110405

• 4285Abstract/Metrics
• 2052 PDF(661KB)

ELECTROCHEMISTRY AND NEW ENERGY

• Preparation of Pt/Graphene Catalyst and Its Catalytic Performance for Oxygen Reduction
• LI Yun-Xia, WEI Zi-Dong, ZHAO Qiao-Ling, DING Wei, ZHANG Qian, CHEN Si-Guo
• Graphene (Gr) is synthesized by the direct reduction of tetrachloroethylene with sodium in paraffin oil rather than by t...
• 2011, 27 (04): 858-862. DOI: 10.3866/PKU.WHXB20110411

• 6277Abstract/Metrics
• 6900 PDF(686KB)

• Synthesis and Electrical Properties of La₂(Mo_1-xV_x)₂O_9-α
• XU Jia, ZHANG Ming, XU Jian-Hong, MA Gui-Lin
• A series of ceramic samples La2(Mo1-xVx)2O9-α (x = 0.02, 0.04, 0.06, 0.08) were synthesized by a solid-state react...
• 2011, 27 (04): 863-868. DOI: 10.3866/PKU.WHXB20110408

• 3332Abstract/Metrics
• 1440 PDF(718KB)

• Effects of Mixed Solvents on the High-Rate Performance of Li₃V₂(PO₄)₃/C Prepared by Sol-Gel Method
• TANG Yan, ZHONG Ben-He, GUO Xiao-Dong, LIU Heng, ZHONG Yan-Jun, NIE Xiang, TANG Hong
• A Li3V2(PO4)3/C composite cathode material was obtained by a sol-gel method using deionized water and organic solvents a...
• 2011, 27 (04): 869-874. DOI: 10.3866/PKU.WHXB20110416

• 4273Abstract/Metrics
• 2102 PDF(6925KB)

• Photovoltaic Performance Improvement of P3HT:PCBM Polymer Solar Cells by Annealing Treatment
• ZHUO Zu-Liang, ZHANG Fu-Jun, XU Xiao-Wei, WANG Jian, LU Li-Fang, XU Zheng
• Several polymer solar cells consisting of ITO/PEDOT:PSS/P3HT:PCBM/Al (indium tin oxide/ poly(3,4-ethylenedioxythiophene)...
• 2011, 27 (04): 875-880. DOI: 10.3866/PKU.WHXB20110414

• 5940Abstract/Metrics
• 4023 PDF(790KB)

• TiO₂ Thin-Film Electrode Modified by Co-Adsorbents
• LI Jie, KONG Fan-Tai, WU Guo-Hua, ZHANG Chang-Neng, DAI Song-Yuan
• A co-adsorbents modified nanocrystalline TiO2 thin-film electrode was studied for application in dye-sensitized solar ce...
• 2011, 27 (04): 881-886. DOI: 10.3866/PKU.WHXB20110413

• 3545Abstract/Metrics
• 2394 PDF(706KB)

• Pseudo-Capacitive and Electrocatalytic Properties of Electrochemically Modified Graphite Electrode in Different Solutions
• FAN Xin-Zhuang, LU Yong-Hong, KONG Xiang-Feng, XU Hai-Bo, WANG Jia
• A graphite electrode (GE) was electrochemically modified by recurrent galvanic pulses. The pseudo-capacitive behavior in...
• 2011, 27 (04): 887-892. DOI: 10.3866/PKU.WHXB20110426

• 3673Abstract/Metrics
• 2027 PDF(590KB)

• Effects of Thermal Treatment on the Electrochemical Behavior of Manganese Dioxide
• MI Juan, WANG Yu-Ting, GAO Peng-Cheng, LI Wen-Cui
• Manganese dioxide (MnO2) was synthesized using a fluid phase method with potassium permanganate and manganous acetate as...
• 2011, 27 (04): 893-899. DOI: 10.3866/PKU.WHXB20110431

• 3700Abstract/Metrics
• 3010 PDF(8117KB)

• Electrochemical Preparation of a Ni-W-P Nanowire Array and Its Photoelectrocatalytic Activity for the Hydrogen Evolution Reaction
• ZHANG Wei-Guo, SHANG Yun-Peng, LIU Li-Na, YAO Su-Wei, WANG Hong-Zhi
• A Ni-W-P alloy nanowire array was fabricated in the nanochannels of an aluminum anodic oxide (AAO) membrane by electrode...
• 2011, 27 (04): 900-904. DOI: 10.3866/PKU.WHXB20110344

• 3569Abstract/Metrics
• 2295 PDF(641KB)

• Inhibition of Ethyleneamine on the Pitting Corrosion of Rebar in a Synthetic Carbonated Concrete Pore Solution
• DONG Ze-Hua, ZHU Tao, SHI Wei, GUO Xing-Peng
• Tetraethylenepentamine (TEPA) was surveyed to show strong inhibition on pitting corrosion of Q345B carbon steel in a car...
• 2011, 27 (04): 905-912. DOI: 10.3866/PKU.WHXB20110336

• 3490Abstract/Metrics
• 1760 PDF(875KB)

SOFT MATTER

• Effect of Sodium Salicylate on the Formation and Properties of Wormlike Micelles in Aqueous Cationic Gemini Surfactant Solutions
• PEI Xiao-Mei, ZHAO Jian-Xi, WEI Xi-Lian
• The effect of sodium salicylate (NaSal) on the formation and properties of wormlike micelles in aqueous solutions of 2-h...
• 2011, 27 (04): 913-917. DOI: 10.3866/PKU.WHXB20110420

• 3571Abstract/Metrics
• 1936 PDF(743KB)

• Synthesis and Self-Assembly of an Oligoaramide Containing Multiple Hydrogen Bonds
• LIU Yun, HE You-Zhou, YUAN Li-Hua, FENG Wen
• An oligoaramide duplex containing multiple hydrogen bonds was found to undergo self-assembly in the absence of its corre...
• 2011, 27 (04): 918-924. DOI: 10.3866/PKU.WHXB20110403

• 3399Abstract/Metrics
• 1869 PDF(799KB)

CATALYSIS AND SURFACE SCIENCE

• Catalytic Combustion of Diesel Soot over Ce_0.5+xZr_0.4-xLa_0.1O₂-Al₂O₃ Catalysts
• ZHU Yi, WANG Jian-Li, CHEN Yong-Dong, LIAO Chuan-Wen, WANG Shi-Dan, GONG Mao-Chu, CHEN Yao-Qiang
• Ce0.5+x Zr0.4-x La0.1O2-Al2O3 catalysts were prepared by co-precipitation, where 0≤x≤0.4 and the mass ratio of Ce0...
• 2011, 27 (04): 925-931. DOI: 10.3866/PKU.WHXB20110343

• 3149Abstract/Metrics
• 1584 PDF(759KB)

• Synthesis and Visible Light Photocatalytic Activity of Cross-Linked Sodium Rectorite/Cu₂O Nanocomposites
• CHEN Jin-Yi, LI Nian, LI Jing, ZHU Liang, PENG Chang-Jun
• CN-REC/Cu2O nanocomposites were synthesized with Cu(CH3COO)2·H2O as a copper source and cross-linked sodium recto...
• 2011, 27 (04): 932-938. DOI: 10.3866/PKU.WHXB20110329

• 3635Abstract/Metrics
• 1942 PDF(723KB)

• Visible-Light-Driven Catalytic Properties and First-Principles Study of Fluorine-Doped TiO₂ Nanotubes
• SU Ya-Ling, LI Yi, DU Ying-Xun, LEI Le-Cheng
• Improving the photocatalytic activity and the utilization of visible light of TiO2 is the most important research topics...
• 2011, 27 (04): 939-945. DOI: 10.3866/PKU.WHXB20110401

• 4147Abstract/Metrics
• 2490 PDF(5056KB)

• Gold Supported on Aminosilane-Functionalized SBA-15 for Chemoselective Hydrogenation of Crotonaldehyde
• TIAN Li, ZHOU Gong-Bing, LI Zhen-Hua, PEI Yan, QIAO Ming-Hua, FAN Kang-Nian
• Three kinds of aminosilane (APTS: 3-aminopropyltrimethoxysilane, TPED: N-[3-(trimethoxysilyl)-propylethylene]diamine, TP...
• 2011, 27 (04): 946-952. DOI: 10.3866/PKU.WHXB20110434

• 3591Abstract/Metrics
• 1618 PDF(738KB)

• Preparation and Characterization of NiB Amorphous Alloy Modified Using Chitosan
• WU Mei-Xia, LI Wei, ZHANG Ming-Hui, TAO Ke-Yi
• NiB amorphous alloy catalyst (NiB-CS) was prepared by direct reduction using the chemical- reduction method with chitosa...
• 2011, 27 (04): 953-958. DOI: 10.3866/PKU.WHXB20110342

• 3405Abstract/Metrics
• 1515 PDF(735KB)

• High-Temperature Synthesis of Zeolite Y
• SHAN Zhi-Chao, LIU Si-Yu, LI Cai-Jin, ZHU Long-Feng, MENG Xiang-Ju, XIAO Feng-Shou
• We hydrothermally synthesized sheet-like crystals of zeolite Y at high temperature (140 °C) using methyltriethoxysil...
• 2011, 27 (04): 959-964. DOI: 10.3866/PKU.WHXB20110417

• 4399Abstract/Metrics
• 2106 PDF(614KB)

PHOTOCHEMISTRY AND RADIATION CHEMISTRY

• Ultrafast Dynamics of the First Excited State of Chlorobenzene
• LIU Yu-Zhu, QIN Chao-Chao, ZHANG Song, WANG Yan-Mei, ZHANG Bing
• Ultrafast dynamics of the first excited state (S1) of chlorobenzene was studied using a combination of femtosecond time-...
• 2011, 27 (04): 965-970. DOI: 10.3866/PKU.WHXB20110404

• 3392Abstract/Metrics
• 1824 PDF(736KB)

• Transient Absorption Spectroscopy of the Effects of the Ionic Liquid [bmim][BF₄] on the Photochemical Reactions of Benzil
• ZHU Guang-Lai, WU Guo-Zhong, CUI Zhi-Feng, XU Xin-Sheng
• Using benzil (BZ) as a probe molecule, the photochemical properties of the ionic liquid (IL) 1-butyl-3-methylimidazolium...
• 2011, 27 (04): 971-976. DOI: 10.3866/PKU.WHXB20110421

• 3693Abstract/Metrics
• 1530 PDF(652KB)

• Synthesis of Poly(9,9-diallylfluorene) and the Mechanism of Its Single Green Emission
• XIAO Lixin, HU Shuangyuan, KONG Sheng, CHEN Zhijian, QU Bo, GONG Qihuang
• Poly(9,9-diallylfluorene) (PAF) with single green emission was synthesized through polymerization of allyl substituted 2...
• 2011, 27 (04): 977-982. DOI: 10.3866/PKU.WHXB20110325

• 4065Abstract/Metrics
• 1875 PDF(644KB)

PHYSICAL CHEMISTRY OF MATERIALS

• Characterization and Anion Emission Characteristics of the Microporous Crystal Cs-C12A7
• NING Shen, SHEN Jing, LI Xing-Long, XU Yong, LI Quan-Xin
• Cesium-12CaO·7Al2O3 (Cs-C12A7) was fabricated by adding CsI to the C12A7 surface using incipient wetness impregna...
• 2011, 27 (04): 983-989. DOI: 10.3866/PKU.WHXB20110410

• 3452Abstract/Metrics
• Supporting Info
• 1750 PDF(671KB)

• Synthesis, Structure and Characterization of Pb_1-xTb_xTi_1-xMn_xO₃ (0≤x≤0.10) Solid Solutions
• FAN Min, LI Guo-Bao, WANG Dong-Wei, JIN Tou-Nan, LIAO Fu-Hui, LIN Jian-Hua
• Solid solutions of Pb1-xTbxTi1-xMnxO3 (0≤x≤0.10) were synthesized by a traditional solid state reaction and charac...
• 2011, 27 (04): 990-994. DOI: 10.3866/PKU.WHXB20110428

• 3249Abstract/Metrics
• 1655 PDF(730KB)