Acta Phys. -Chim. Sin.

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2011 Vol. 27, No. 12 Published online: 2011-11-25
Current column
Table of Contents
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
THEORETICAL AND COMPUTATIONAL CHEMISTRY
ELECTROCHEMISTRY AND NEW ENERGY
CATALYSIS AND SURFACE SCIENCE
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
BIOPHYSICAL CHEMISTRY
PHYSICAL CHEMISTRY OF MATERIALS
NEWS AND COMMENTS
ACKNOWLEDGMENTS
Index

Table of Contents

Cover and Table of Contents for Vol.27 No. 12
Acta Phys. -Chim. Sin. 2011, 27 (12), 0.

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2733-2742. DOI: 10.3866/PKU.WHXB20112733

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2743-2748. DOI: 10.3866/PKU.WHXB20112743

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2749-2754. DOI: 10.3866/PKU.WHXB20112749

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 ...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2755-2761. DOI: 10.3866/PKU.WHXB20112755

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2762-2766. DOI: 10.3866/PKU.WHXB20112762

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2767-2772. DOI: 10.3866/PKU.WHXB20112767

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2773-2778. DOI: 10.3866/PKU.WHXB20112773

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2779-2785. DOI: 10.3866/PKU.WHXB20112779

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2786-2792. DOI: 10.3866/PKU.WHXB20112786

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 ...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2793-2798. DOI: 10.3866/PKU.WHXB20112793

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2799-2804. DOI: 10.3866/PKU.WHXB20112799

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2805-2813. DOI: 10.3866/PKU.WHXB20112805

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2814-2820. DOI: 10.3866/PKU.WHXB20112814

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2821-2825. DOI: 10.3866/PKU.WHXB20112821

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2826-2830. DOI: 10.3866/PKU.WHXB20112826

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 ...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2831-2835. DOI: 10.3866/PKU.WHXB20112831

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2836-2840. DOI: 10.3866/PKU.WHXB20112836

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2841-2848. DOI: 10.3866/PKU.WHXB20112841

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2849-2856. DOI: 10.3866/PKU.WHXB20112849

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2857-2862. DOI: 10.3866/PKU.WHXB20112857

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2863-2871. DOI: 10.3866/PKU.WHXB20112863

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%)...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2872-2880. DOI: 10.3866/PKU.WHXB20112872

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2881-2886. DOI: 10.3866/PKU.WHXB20112881

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2887-2892. DOI: 10.3866/PKU.WHXB20112887

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 ...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2893-2899. DOI: 10.3866/PKU.WHXB20112893

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 ...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2900-2906. DOI: 10.3866/PKU.WHXB20112900

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 ...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2907-2914. DOI: 10.3866/PKU.WHXB20112907

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2915-2919. DOI: 10.3866/PKU.WHXB20112915

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2920-2926. DOI: 10.3866/PKU.WHXB20112920

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2927-2932. DOI: 10.3866/PKU.WHXB20112927

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2933-2938. DOI: 10.3866/PKU.WHXB20112933

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 ...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2939-2945. DOI: 10.3866/PKU.WHXB20112939

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2946-2952. DOI: 10.3866/PKU.WHXB20112946

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2953-2959. DOI: 10.3866/PKU.WHXB20112953

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2960-2962. DOI: 10.3866/PKU.WHXB20112960

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...
Acta Phys. -Chim. Sin. 2011, 27 (12), 2963-2972.

Index

ACTA PHYSICO-CHIMICA SINICA Vol. 27 No. 1-12 2011 INDEX
Acta Phys. -Chim. Sin. 2011, 27 (12), 2973-2997.