Acta Phys. -Chim. Sin.

Table of Contents

Cover and Table of Contents for Vol.30 No. 5
Acta Phys. -Chim. Sin. 2014, 30 (5), 0.

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

Temperature Dependence of C₂(a³П_u) Radical Reactions with Sulfur Bearing Molecules
HU Ren-Zhi, XIE Pin-Hua, ZHANG Qun, SI Fu-Qi, CHEN Yang
The bimolecular rate constants for the gas- phase reactions of C2(a3Пu) with sulfur-bearing molecules (H2S, SO2, CS2) we...
Acta Phys. -Chim. Sin. 2014, 30 (5), 797-802. DOI: 10.3866/PKU.WHXB201403072

THEORETICAL AND COMPUTATIONAL CHEMISTRY

QSPR Models of Compound Viscosity Based on Iterative Self-Organizing Data Analysis Technique and Ant Colony Algorithm
SHI Jing-Jie, CHEN Li-Ping, CHEN Wang-Hua
The aim of this study was to construct a quantitative structure-property relationship model to identify relationships be...
Acta Phys. -Chim. Sin. 2014, 30 (5), 803-810. DOI: 10.3866/PKU.WHXB201403181

Study on Mechanism of Surfactant Influencing on Sludge Dewatering Performance：Molecular Dynamics Simulations of the Interaction between Gemini Surfactant and Polyelectrolyte
LÜ Wen-Jie, HU Yao-Feng, ZHAN Bi-Cai, LIU Zhen-Hai, SHANG Ya-Zhuo, WANG Hua-Lin, LIU Hong-Lai
Surfactants can be adsorbed with extracellular polymeric substances (EPS) to form micelles with the release of both free...
Acta Phys. -Chim. Sin. 2014, 30 (5), 811-820. DOI: 10.3866/PKU.WHXB201403201

Reaction Mechanism for the Ni-Catalyzed Reductive Cross-Coupling of Aryl Halides
JIANG Feng, REN Qing-Hua
The mechanism of the Ni-catalyzed reductive cross-coupling reaction of bromobenzene (R1) and methyl 4-bromobenzoate (R2)...
Acta Phys. -Chim. Sin. 2014, 30 (5), 821-828. DOI: 10.3866/PKU.WHXB201403241

Adsorption Mechanism of Hydrated Pb(OH)⁺ on the Kaolinite (001) Surface
WANG Juan, XIA Shu-Wei, YU Liang-Min
The adsorption behavior of Pb(OH)+ on the basal octahedral (001) surface of kaolinite has been investigated using the Pe...
Acta Phys. -Chim. Sin. 2014, 30 (5), 829-835. DOI: 10.3866/PKU.WHXB201403211

Influences of Molecular Rotations and Laser Pulses on Controlling Multiphoton Excitation
FENG Hai-Ran, LI Peng, ZHENG Yu-Jun, WANG De-Hua
The influence of molecular rotation, laser pulse shape and initial phase on controlling the infrared multiphoton excitat...
Acta Phys. -Chim. Sin. 2014, 30 (5), 836-844. DOI: 10.3866/PKU.WHXB201403262

First-Principles Calculations of Optical and Elastic Properties of Carbon-Doped α-S₈
RUAN Lin-Wei, ZHU Yu-Jun, QIU Ling-Guang, LU Yu-Xiang
In this study, we performed a first-principles investigation of the rules governing changes in the electronic structure,...
Acta Phys. -Chim. Sin. 2014, 30 (5), 845-854. DOI: 10.3866/PKU.WHXB201402251

Charge Transport and Fluorescence Properties of a Series of Red-Emitting Materials Based on Benzothiadiazole and Silafluorene
LI Yan, ZOU Lu-Yi, REN Ai-Min
The ground and excited states, charge- transport, and fluorescence properties of a series of polymers based on benzothia...
Acta Phys. -Chim. Sin. 2014, 30 (5), 855-865. DOI: 10.3866/PKU.WHXB201403113

ELECTROCHEMISTRY AND NEW ENERGY

Vacuum-Assisted Synthesis of Fe₃(PO₄)₂·8H₂O and Its Influence on Structure, Morphology and Electrochemical Performance of LiFePO₄/C
REN Jian-Xin, HU You-Kun, GUO Xiao-Dong, TANG Yan, ZHONG Ben-He, LIU Heng
A vacuum-assisted precipitation method was used to synthesize Fe3(PO4)2·8H2O (FP). The FP was then used to synthe...
Acta Phys. -Chim. Sin. 2014, 30 (5), 866-872. DOI: 10.3866/PKU.WHXB201403041

Modification of Single-Crystal TiO₂ Nanorod Arrays and Its Application in Quantum Dot-Sensitized Solar Cells
WANG Shi-Mao, DONG Wei-Wei, FANG Xiao-Dong, DENG Zan-Hong, SHAO Jing-Zhen, HU Lin-Hua, ZHU Jun
Single-crystal TiO2 nanorod arrays (TNRs) are proposed to increase the electron transport rate and improve the cell perf...
Acta Phys. -Chim. Sin. 2014, 30 (5), 873-880. DOI: 10.3866/PKU.WHXB201403042

Hydrothermal Synthesis and Electrochemical Measurements of Interconnected Porous Carbon/MnO₂ Composites
ZHANG Xuan-Xuan, RAN Fen, FAN Hui-Li, KONG Ling-Bin, KANG Long
This article describes the electrochemical performance of a novel interconnected porous carbon/ MnO2 (IPC/MnO2) composit...
Acta Phys. -Chim. Sin. 2014, 30 (5), 881-890. DOI: 10.3866/PKU.WHXB201403061

Preparation and Electrocatalytic Activity of Tungsten Carbide and Tungsten-Iron Carbide Composite with Core-Shell Structure
CHEN Hui, CHEN Dan, XIE Wei-Miao, ZHENG Xiang, LI Guo-Hua
A tungsten carbide and tungsten-iron carbide composite with a core-shell structure was prepared through a combination of...
Acta Phys. -Chim. Sin. 2014, 30 (5), 891-898. DOI: 10.3866/PKU.WHXB201402241

Synthesis of a MnO₂/NiCo₂O₄ Composite by Electrostatic Self-Assembly and Its Electrochemical Performance
LI Li, HU Zhong-Ai, YANG Yu-Ying, WU Hong-Ying, CUI Lu-Juan
A hetero-layered MnO2/NiCo2O4 composite was fabricated according to an electrostatic self-assembly process between negat...
Acta Phys. -Chim. Sin. 2014, 30 (5), 899-907. DOI: 10.3866/PKU.WHXB201403261

SOFT MATTER

Effects of Surfactants on Interfacial Shear Rheological Properties of Polymers for Enhanced Oil Recovery
CAO Xu-Long, LI Jing, YANG Yong, ZHANG Ji-Chao, ZHANG Lei, ZHANG Lu, ZHAO Sui
The effects of surfactants, namely sodium dodecylbenzenesulfonate (SDBS) and hexadecyltrimethylammonium bromide (CTAB), ...
Acta Phys. -Chim. Sin. 2014, 30 (5), 908-916. DOI: 10.3866/PKU.WHXB201403073

Surface Properties in the Mixed Systems of Dodecylammonium Chloride and Sodium Alcohol Ether Sulphate
CHENG Xin-Hao, ZHAO Ou-Di, ZHAO Hai-Na, HUANG Jian-Bin
The surface properties and micellar behaviors of mixed systems composed of dodecylammonium chloride (DAC) and sodium alc...
Acta Phys. -Chim. Sin. 2014, 30 (5), 917-922. DOI: 10.3866/PKU.WHXB201403191

CATALYSIS AND SURFACE SCIENCE

Effect of Chromium Doping on the Catalytic Behavior of Cu/ZrO₂/CNTs-NH₂ for the Synthesis of Methanol from Carbon Dioxide Hydrogenation
WANG Guan-Nan, CHEN Li-Min, GUO Yuan-Yuan, FU Ming-Li, WU Jun-Liang, HUANG Bi-Chun, YE Dai-Qi
A series of Cu/ZrO2/CNTs-NH2 catalysts with various chromium dopings were prepared using a coprecipitation method for th...
Acta Phys. -Chim. Sin. 2014, 30 (5), 923-931. DOI: 10.3866/PKU.WHXB201403051

Partial Hydrogenation of Benzene to Cyclohexene over Novel Ru-B/MOF Catalysts
TAN Xiao-He, ZHOU Gong-Bing, DOU Rong-Fei, PEI Yan, FAN Kang-Nian, QIAO Ming-Hua, SUN Bin, ZONG Bao-Ning
A series of metal-organic framework (MOF) materials were synthesized together with the corresponding amorphous Ru-B/MOF ...
Acta Phys. -Chim. Sin. 2014, 30 (5), 932-942. DOI: 10.3866/PKU.WHXB201403212

Hydrogenation Study of Benzene over a Mo₂C/γ-Al₂O₃ Catalyst by In situ IR Spectroscopy
YANG Fan, ZHANG Jing, WU Wei-Cheng
Passivated, reduced passivated, and fresh Mo2C/γ-Al2O3 catalysts were prepared by temperatureprogrammed reactions ...
Acta Phys. -Chim. Sin. 2014, 30 (5), 943-949. DOI: 10.3866/PKU.WHXB201403213

Low-Temperature Total Oxidation of Toluene over Assembled Pt/TiO₂ Catalyst
AO Ping, XU Xiang-Sheng, XU Xiao-Xiao, LI Jia-Heng, YAN Xin-Huan
A highly active assembled Pt/TiO2 catalyst (Pt/TiO2-AS) was synthesized using a simple directadsorption method, in which...
Acta Phys. -Chim. Sin. 2014, 30 (5), 950-956. DOI: 10.3866/PKU.WHXB201403111

Pd-MnO_x/γ-Al₂O₃ Monolithic Catalysts Prepared by Impregnation Method and Effect of Different Supports on Ground-Level Ozone Decomposition
REN Cheng-Jun, ZHOU Li-Na, SHANG Hong-Yan, CHEN Yao-Qiang
Pd-MnOx/γ-Al2O3 catalysts were prepared by impregnating Pd and MnOx on γ-Al2O3 supports, using an incipient ...
Acta Phys. -Chim. Sin. 2014, 30 (5), 957-964. DOI: 10.3866/PKU.WHXB201403101

Low-Temperature Electrostatic Self-Assembly of Noble Metals on TiO₂ Nanostructured Films with Enhanced Photocatalytic Activity
FU Ping-Feng, ZHANG Peng-Yi
Photoactive TiO2 nanostructured films (i.e., nanoflowers and nanowires) have been directly synthesized on Ti sheets usin...
Acta Phys. -Chim. Sin. 2014, 30 (5), 965-972. DOI: 10.3866/PKU.WHXB201403171

Effects of pH on the Properties of Mo-Modified Pt/C Synthesized by Microwave-Assisted Method as Catalyst for Electro-Oxidation of Ethanol
MA Zhong, YUAN Xian-Xia, XIA Xiao-Yun, DU Juan, LI Lin, MA Zi-Feng
A series of Mo-modified Pt/C catalysts were synthesized, using a microwave-assisted technique, and the effects of pH val...
Acta Phys. -Chim. Sin. 2014, 30 (5), 973-979. DOI: 10.3866/PKU.WHXB201403071

PHOTOCHEMISTRY AND RADIATION CHEMISTRY

Synthesis and Optical Limiting Behaviors of Malononitrile Derivatives
WANG Liu-Heng, PENG Rong-Zong, ZHAO Yu-Xia, WU Fei-Peng
A series of malononitrile derivatives (D1-D7) with different electron donors and conjugation lengths were designed and s...
Acta Phys. -Chim. Sin. 2014, 30 (5), 980-986. DOI: 10.3866/PKU.WHXB201403031

Photoisomerization Kinetics of IR125 and HDITCP in Ionic Liquids with Different Cation Alkyl Chain Lengths
YUAN Shu-Wei, LÜ Rong, YU An-Chi
The photoisomerization kinetics of IR125 and HDITCP in ionic liquids with different cation alkyl chain lengths were inve...
Acta Phys. -Chim. Sin. 2014, 30 (5), 987-993. DOI: 10.3866/PKU.WHXB201403112

PHYSICAL CHEMISTRY OF MATERIALS

Synthesis of High Quality CdTe Quantum Dots in Aqueous Solution Using Multidentate Polymer Ligands under Microwave Irradiation
YUWEN Li-Hui, XUE Bing, WANG Lian-Hui
Quantum dots (QDs) have recently attracted considerable attention due to their unique optical properties and potential a...
Acta Phys. -Chim. Sin. 2014, 30 (5), 994-1000. DOI: 10.3866/PKU.WHXB201403131