Table of Contents

• Cover and Table of Contents for Vol.27 No. 12
• 2011, 27 (12): 0.

• 1497Abstract/Metrics
• 2063 PDF(4379KB)

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

• Analysis and Simulation of Experimental Configurations for Sum Frequency Generation and Difference Frequency Generation Vibrational Spectroscopy
• WANG Yuan, DENG Gang-Hua, GUO Yuan
• The analysis of experimental configurations is the foundation for quantitative analysis in sum frequency generation vibr...
• 2011, 27 (12): 2733-2742. DOI: 10.3866/PKU.WHXB20112733

• 3623Abstract/Metrics
• 1671 PDF(670KB)

• Terahertz Time-Domain Spectroscopy of L- and DL-Fudosteine
• ZHAO Rong-Jiao, HE Jin-Long, LI Jing, GUO Chang-Sheng, DU Yong, HONG Zhi
• The absorption spectra of L- and DL-Fudosteine were measured using terahertz time-domain (THz-TDS) system at room temper...
• 2011, 27 (12): 2743-2748. DOI: 10.3866/PKU.WHXB20112743

• 3706Abstract/Metrics
• 1554 PDF(1615KB)

• Ionization and Dissociation of Methyl Chloride in an Excitation Energy Range of 13-17 eV
• WU Man-Man, TANG Xiao-Feng, NIU Ming-Li, ZHOU Xiao-Guo, DAI Jing-Hua, LIU Shi-Lin
• Using threshold photoelectron-photoion coincidence time-of-flight mass spectrometry, the photoionization and photodissoc...
• 2011, 27 (12): 2749-2754. DOI: 10.3866/PKU.WHXB20112749

• 2889Abstract/Metrics
• 1195 PDF(523KB)

• Mechanism Construction and Simulation for the High-Temperature Combustion of n-Dodecane
• HUA Xiao-Xiao, WANG Jing-Bo, WANG Quan-De, TAN Ning-Xin, LI Xiang-Yuan
• Using automatic generation software for hydrocarbon oxidation mechanisms, a detailed mechanism for the high-temperature ...
• 2011, 27 (12): 2755-2761. DOI: 10.3866/PKU.WHXB20112755

• 3801Abstract/Metrics
• 1903 PDF(797KB)

• Dynamic Viscosity and Conductivity of Ionic Liquids [C_npy][NTf₂] (n=2, 4, 5)
• LIU Qing-Shan, YAN Pei-Fang, YANG Miao, TAN Zhi-Cheng, LI Chang-Ping, WELZ-BIERMANN Urs
• Experimental dynamic viscosity and conductivity data of the air- and water-stable hydrophobic ionic liquids (ILs) N-alky...
• 2011, 27 (12): 2762-2766. DOI: 10.3866/PKU.WHXB20112762

• 4833Abstract/Metrics
• 2448 PDF(731KB)

• Adsorption Performance of Tetradecyl Aryl Sulfonates on Oil Sand from the Daqing Oilfield
• DONG Zhi-Long, DING Wei, LIU Kun, ZHANG Zhi-Wei, QU Guang-Miao, YU Tao
• Three tetradecyl aryl sulfonates of high purity were synthesized. Their static adsorption performance on oil sand from t...
• 2011, 27 (12): 2767-2772. DOI: 10.3866/PKU.WHXB20112767

• 2802Abstract/Metrics
• 1262 PDF(1674KB)

• Dissociation Conditions and Influencing Factors of Methane Hydrate in Chloride Salt Solution under High Pressure
• SUN Shi-Cai, LIU Chang-Ling, YE Yu-Guang, JIANG Qian
• A method that can be used for gas hydrate exploitation is the injection of a brine solution into hydrate reservoir, ther...
• 2011, 27 (12): 2773-2778. DOI: 10.3866/PKU.WHXB20112773

• 3351Abstract/Metrics
• 1328 PDF(757KB)

THEORETICAL AND COMPUTATIONAL CHEMISTRY

• Car-Parrinello Molecular Dynamics Simulations of Microstructure Properties of Liquid Water, Methanol and Ethanol
• ZENG Yong-Ping, ZHU Xiao-Min, YANG Zheng-Hua
• Car-Parrinello molecular dynamics (CPMD) calculations were performed on the solvent structure properties of water, metha...
• 2011, 27 (12): 2779-2785. DOI: 10.3866/PKU.WHXB20112779

• 5536Abstract/Metrics
• 2182 PDF(2334KB)

• Meaning and Functional Form of the Electron Localization Function
• LU Tian, CHEN Fei-Wu
• The electron localization function (ELF) is an important tool to study electronic structure. In this article, the concep...
• 2011, 27 (12): 2786-2792. DOI: 10.3866/PKU.WHXB20112786

• 6786Abstract/Metrics
• 4890 PDF(2525KB)

• First-Principles Calculation of the Crystal Structure and Stabilization of Mg-Ti-H System
• DU Xiao-Ming, LI Wu-Hui, HUANG Yong, WU Er-Dong
• First-principles calculations were performed to determine the equilibrium crystal structures, energetic properties, and ...
• 2011, 27 (12): 2793-2798. DOI: 10.3866/PKU.WHXB20112793

• 3593Abstract/Metrics
• 2053 PDF(879KB)

• Effects of Cu²⁺ on Proton Transfer Processes in an Adenine-Thymine Anion Base Pair
• ZHANG Feng, WANG Hong-Yan, LIN Yue-Xia
• The proton-transfer processes of the adenine-thymine (A-T) base pair anion (AT)- and the Cu2+ cationized (A-T) base pair...
• 2011, 27 (12): 2799-2804. DOI: 10.3866/PKU.WHXB20112799

• 3368Abstract/Metrics
• 1231 PDF(1249KB)

• Electronic Structures and Optical Properties of CuAlX₂ (X=S, Se, Te) Semiconductors with a Chalcopyrite Structure
• ZHOU He-Gen, CHEN Hong, CHEN Dong, LI Yi, DING Kai-Ning, HUANG Xin, ZHANG Yong-Fan
• Density functional theory (DFT) based on the pseudo-potential plane wave basis set was used to investigate the electroni...
• 2011, 27 (12): 2805-2813. DOI: 10.3866/PKU.WHXB20112805

• 4314Abstract/Metrics
• 2189 PDF(4282KB)

ELECTROCHEMISTRY AND NEW ENERGY

• Photoinduced Electron Transfer between CdS Quantum Dots and Gold Electrodes
• YUE Zhao, ZHANG Wei, WANG Cheng, LIU Guo-Hua, NIU Wen-Cheng
• For a better design of quantum dots (QDs) based photoelectrochemical sensors, photoinduced electron transfer between CdS...
• 2011, 27 (12): 2814-2820. DOI: 10.3866/PKU.WHXB20112814

• 3091Abstract/Metrics
• 1798 PDF(1394KB)

• Preparation of Large Grain and Dense CdS Thin Films Using Ultrasonic Agitation Chemical Bath Deposition
• SHI Cheng-Wu, CHEN Zhu, SHI Gao-Yang, SUN Ren-Jie
• We deposited CdS thin films onto F-doped SnO2 transparent conductive glass by ultrasonic agitation chemical bath deposit...
• 2011, 27 (12): 2821-2825. DOI: 10.3866/PKU.WHXB20112821

• 3710Abstract/Metrics
• 1697 PDF(1104KB)

• Preparation of CIGS Thin Films by Electrodeposition Method Using Ethanol as a Solvent
• WANG Xin-Chun, HU Bin-Bin, WANG Guang-Jun, YANG Guang-Hong, WAN Shao-Ming, DU Zu-Liang
• We prepared copper indium gallium diselenide (CIGS) thin films by potentiostatic electrodeposition in an ethanol solutio...
• 2011, 27 (12): 2826-2830. DOI: 10.3866/PKU.WHXB20112826

• 3875Abstract/Metrics
• 1983 PDF(735KB)

• Photoelectrochemical Properties of Graphene Oxide Thin Film Electrodes
• ZHANG Xiao-Yan, SUN Ming-Xuan, SUN Yu-Jun, LI Jing, SONG Peng, SUN Tong, CUI Xiao-Li
• A series of graphene oxide (GO) thin films were prepared by a dip-coating method and characterized by X-ray diffraction ...
• 2011, 27 (12): 2831-2835. DOI: 10.3866/PKU.WHXB20112831

• 4482Abstract/Metrics
• 2012 PDF(766KB)

• Preparation and Characterization of Peanut Shell-Based Microporous Carbons as Electrode Materials for Supercapacitors
• GUO Pei-Zhi, JI Qian-Qian, ZHANG Li-Li, ZHAO Shan-Yu, ZHAO Xiu-Song
• Microporous carbons (PSC-1 and PSC-2) were obtained directly by the carbonization of peanut shells without and with NaOH...
• 2011, 27 (12): 2836-2840. DOI: 10.3866/PKU.WHXB20112836

• 4208Abstract/Metrics
• 2064 PDF(480KB)

• Inhibition Effect of Nitrotetrazolium Blue Chloride on the Corrosion of Steel in Hydrochloric Acid Solution
• LI Xiang-Hong, DENG Shu-Duan, FU Hui
• The inhibition effect of nitrotetrazolium blue chloride (NTBC) on the corrosion of cold rolled steel (CRS) in 1.0-5.0 mo...
• 2011, 27 (12): 2841-2848. DOI: 10.3866/PKU.WHXB20112841

• 3589Abstract/Metrics
• 1707 PDF(760KB)

• Preparation of the Ni/NiCo₂O₄ Composite Electrode and Its Properties toward the Oxygen Evolution Reaction in Alkaline Media
• BAO Jin-Zhen, WANG Sen-Lin
• A NiCo2O4 spinel composite oxide was obtained by co-precipitation. A Ni/NiCo2O4 composite coating was prepared by compos...
• 2011, 27 (12): 2849-2856. DOI: 10.3866/PKU.WHXB20112849

• 3397Abstract/Metrics
• 2027 PDF(1537KB)

• PtSnCo/C Anode Catalyst for Methanol Oxidation
• LI Qing-Wu, WEI Zi-Dong, CHEN Si-Guo, QI Xue-Qiang, LIU Xiao, DING Wei, MAYu
• A binary metallic catalyst (PtSn/C) and a ternary metallic catalyst (PtSnCo/C) with a metal mass fraction of 20% were pr...
• 2011, 27 (12): 2857-2862. DOI: 10.3866/PKU.WHXB20112857

• 3713Abstract/Metrics
• 1692 PDF(1863KB)

• Preparation of Tungsten Carbide and Titania Nanocomposite and Its Electrocatalytic Activity for Methanol
• HU Xian-Chao, CHEN Dan, SHI Bin-Bin, LI Guo-Hua
• Tungsten carbide and titania nanocomposite with a core-shell structure was fabricated by combing chemical immersion with...
• 2011, 27 (12): 2863-2871. DOI: 10.3866/PKU.WHXB20112863

• 3464Abstract/Metrics
• 1768 PDF(1417KB)

CATALYSIS AND SURFACE SCIENCE

• Highly Active Au/α-MnO₂ Catalysts for the Low-Temperature Oxidation of Carbon Monoxide and Benzene
• YE Qing, HUO Fei-Fei, YAN Li-Na, WANG Juan, CHENG Shui-Yuan, KANG Tian-Fang
• α-MnO2-supported gold catalysts (xAu/α-MnO2, x=0-7 (corresponding to the Au loading (mass fraction) of 0-7%)...
• 2011, 27 (12): 2872-2880. DOI: 10.3866/PKU.WHXB20112872

• 3795Abstract/Metrics
• 1876 PDF(2664KB)

• Hydroxylation of Benzene over V-HMS Catalysts with the Addition of Fe as the Second Metal Component
• FENG Su-Jiao, YUE Bin, WANG Yu, YE Lin, HE He-Yong
• Second metals (Fe, Al, Cu, Ni, Co, Mo, Cr) were incorporated into V-HMS catalyst by impregnation to enhance the catalyti...
• 2011, 27 (12): 2881-2886. DOI: 10.3866/PKU.WHXB20112881

• 4257Abstract/Metrics
• 1382 PDF(1602KB)

• Asymmetric Hydrogenation of Acetophenone and Its Derivatives Catalyzed by L-Proline Stabilized Iridium
• YANG Chao-Fen, YANG Jun, ZHU Yan-Qin, SUN Xiao-Dong, LI Xian-Jun, CHEN Hua
• A supported iridium catalyst stabilized by L-proline was prepared under mild conditions and was applied to the heterogen...
• 2011, 27 (12): 2887-2892. DOI: 10.3866/PKU.WHXB20112887

• 3368Abstract/Metrics
• 1267 PDF(770KB)

• Synthesis, Characterization of SSZ-33 Molecular Sieves and Their Performance for the Automobile Tailpipe Hydrocarbon Trap
• PAN Rui-Li, FAN Wei-Bin, LI Yu-Ping, LI Xiao-Feng, LI Sha, DOU Tao
• Using N,N,N-trimethyl-8-ammonium tricyclo [5.2.1.02,6] decane iodide as a structure directing agent, B-SSZ-33 molecular ...
• 2011, 27 (12): 2893-2899. DOI: 10.3866/PKU.WHXB20112893

• 3421Abstract/Metrics
• 1747 PDF(877KB)

PHOTOCHEMISTRY AND RADIATION CHEMISTRY

• Effect of Oxygen Vacancy on the Optical Properties of Porous Zirconia
• OUYANG Jing, SONG Xing-Lin, LIN Ming-Yue, ZOU Ju, LI Jing-Jing, ZHU Jiang-Ping, YANG Hua-Ming
• The effect of oxygen vacancy on the optical properties of porous zirconia (ZrO2) was discussed based on the preparation ...
• 2011, 27 (12): 2900-2906. DOI: 10.3866/PKU.WHXB20112900

• 3313Abstract/Metrics
• 2395 PDF(966KB)

BIOPHYSICAL CHEMISTRY

• Interactions between Different Classes of Surfactants and Metmyoglobin
• ZHANG Ying-Ying, CAO Hong-Yu, TANG Qian, ZHENG Xue-Fang
• Complexes of horse metmyoglobin (metMb) with the anionic surfactants sodium bis(2- ethylhexyl) sulfosuccinate (AOT) and ...
• 2011, 27 (12): 2907-2914. DOI: 10.3866/PKU.WHXB20112907

• 3150Abstract/Metrics
• 1817 PDF(3693KB)

PHYSICAL CHEMISTRY OF MATERIALS

• Structure and Morphology of Induction-Melted Higher Manganese Silicide
• ZHOU Ai-Jun, CUI Heng-Guan, LI Jing-Ze, ZHAO Xin-Bing
• Field emission scanning microscopy (FESEM) and energy-dispersive X-ray spectroscopy (EDXS) were used to study the morpho...
• 2011, 27 (12): 2915-2919. DOI: 10.3866/PKU.WHXB20112915

• 3818Abstract/Metrics
• 1334 PDF(862KB)

• Synthesis and Characterization of Sphere-Like Cu₂ZnSnS₄ Nanocrystals by Solvothermal Method
• CAI Qian, LIANG Xiao-Juan, ZHONG Jia-Song, SHAO Ming-Guo, WANG Yun, ZHAO Xiao-Wei, XIANG Wei-Dong
• A simple solvothermal route has been successfully used to prepare Cu2ZnSnS4 nanocrystals using metal chloride and L-cyst...
• 2011, 27 (12): 2920-2926. DOI: 10.3866/PKU.WHXB20112920

• 4173Abstract/Metrics
• 3081 PDF(1409KB)

• Formation Mechanism of Barium Titanate Nanoparticle Aggregations
• ZHAN Hong-Quan, JIANG Xiang-Ping, LI Xiao-Hong, LUO Zhi-Yun, CHEN Chao, LI Yue-Ming
• A novel nanoparticle aggregation structure of barium titanate was obtained by the hydrothermal method. Powder X-ray diff...
• 2011, 27 (12): 2927-2932. DOI: 10.3866/PKU.WHXB20112927

• 3561Abstract/Metrics
• 1876 PDF(1181KB)

• Microwave-Assisted Hydrothermal Synthesis of Ag-Loaded Titania Nanotubes and Their Photocatalytic Performance
• CHEN Shu-Hai, XU Yao, LÜ Bao-Liang, WU Dong
• Ag-loaded titania nanotubes were synthesized by a microwave-assisted hydrothermal method and were characterized by X-ray...
• 2011, 27 (12): 2933-2938. DOI: 10.3866/PKU.WHXB20112933

• 4220Abstract/Metrics
• 2161 PDF(924KB)

• Facile Synthesis of Assembly HAP Nanoribbon Spheres and the Synergized Action of Its Photocatalytic Properties
• YANG Xiao-Hong, LIU Chang, LIU Jin-Ku, ZHU Zi-Chun
• Hydroxyapatite (HAP) nanoribbon spheres with well-defined nanoscale structures and regular morphology were successfully ...
• 2011, 27 (12): 2939-2945. DOI: 10.3866/PKU.WHXB20112939

• 3694Abstract/Metrics
• 1430 PDF(1049KB)

• Adjustable Synthesis and Visible-Light Responsive Photocatalytic Performance of V₂O₅·xH₂O-BiVO₄ Nanocomposites
• LI Ben-Xia, WANG Yan-Fen, LIU Tong-Xuan
• V2O5·xH2O-BiVO4 composite photocatalysts were synthesized using monoclinic V2O5·xH2O nanowires as a precur...
• 2011, 27 (12): 2946-2952. DOI: 10.3866/PKU.WHXB20112946

• 3854Abstract/Metrics
• Supporting Info
• 2396 PDF(2633KB)

• Direct Graphene Growth by Depositing Carbon Atoms on Si Substrate Covered by SiC Buffer Layers
• TANG Jun, KANG Chao-Yang, LI Li-Min, XU Peng-Shou
• Graphene is a newly discovered material with many functions. The preparation of graphene on suitable substrates is a cha...
• 2011, 27 (12): 2953-2959. DOI: 10.3866/PKU.WHXB20112953

• 3554Abstract/Metrics
• 2040 PDF(987KB)

NEWS AND COMMENTS

• Focus on the Morphology-Dependent Nanocatalysis Papers in Chinese Journal of Catalysis of the Year 2010
• LI Yong
• The size-dependent nanocatalysis has been well studied in the past three decades, while little concern is paid to the sh...
• 2011, 27 (12): 2960-2962. DOI: 10.3866/PKU.WHXB20112960

• 2424Abstract/Metrics
• 1471 PDF(316KB)

ACKNOWLEDGMENTS

• ACKNOWLEDGMENTS
• 一年来(2010 年11 月-2011 年10 月), 有925 位老师(名单按姓名拼音字母排序)非常认真细致、无偿而且及时(初审平均20 天、复审平均10 天)地完成了审稿, 提出了很多客观、中肯的意见和建议. 他们的辛勤劳动和无私奉献使...
• 2011, 27 (12): 2963-2972.

• 1894Abstract/Metrics
• 4248 PDF(247KB)

Index

• ACTA PHYSICO-CHIMICA SINICA Vol. 27 No. 1-12 2011 INDEX
• 2011, 27 (12): 2973-2997.

• 1453Abstract/Metrics
• 2273 PDF(1585KB)