Table of Contents

• Cover and Table of Contents for Vol.30 No. 5
• 2014, 30 (5): 0-0

• 934Abstract/Metrics
• 1252 PDF(10172KB)

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...
• 2014, 30 (5): 797-802 DOI: 10.3866/PKU.WHXB201403072

• 1024Abstract/Metrics
• 888 PDF(752KB)

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...
• 2014, 30 (5): 803-810 DOI: 10.3866/PKU.WHXB201403181

• 937Abstract/Metrics
• Supporting Info
• 992 PDF(727KB)

• 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...
• 2014, 30 (5): 811-820 DOI: 10.3866/PKU.WHXB201403201

• 1336Abstract/Metrics
• 1219 PDF(1339KB)

• 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)...
• 2014, 30 (5): 821-828 DOI: 10.3866/PKU.WHXB201403241

• 1489Abstract/Metrics
• Supporting Info
• 1226 PDF(2662KB)

• 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...
• 2014, 30 (5): 829-835 DOI: 10.3866/PKU.WHXB201403211

• 1476Abstract/Metrics
• Supporting Info
• 1366 PDF(2128KB)

• 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...
• 2014, 30 (5): 836-844 DOI: 10.3866/PKU.WHXB201403262

• 1118Abstract/Metrics
• 839 PDF(2273KB)

• 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,...
• 2014, 30 (5): 845-854 DOI: 10.3866/PKU.WHXB201402251

• 1620Abstract/Metrics
• 997 PDF(1229KB)

• 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...
• 2014, 30 (5): 855-865 DOI: 10.3866/PKU.WHXB201403113

• 1426Abstract/Metrics
• 853 PDF(1179KB)

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...
• 2014, 30 (5): 866-872 DOI: 10.3866/PKU.WHXB201403041

• 967Abstract/Metrics
• 1188 PDF(1575KB)

• 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...
• 2014, 30 (5): 873-880 DOI: 10.3866/PKU.WHXB201403042

• 1294Abstract/Metrics
• 1084 PDF(1385KB)

• 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...
• 2014, 30 (5): 881-890 DOI: 10.3866/PKU.WHXB201403061

• 1327Abstract/Metrics
• 2184 PDF(1192KB)

• 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...
• 2014, 30 (5): 891-898 DOI: 10.3866/PKU.WHXB201402241

• 1192Abstract/Metrics
• 1364 PDF(1196KB)

• 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...
• 2014, 30 (5): 899-907 DOI: 10.3866/PKU.WHXB201403261

• 1534Abstract/Metrics
• Supporting Info
• 1454 PDF(3749KB)

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), ...
• 2014, 30 (5): 908-916 DOI: 10.3866/PKU.WHXB201403073

• 945Abstract/Metrics
• 1277 PDF(1163KB)

• 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...
• 2014, 30 (5): 917-922 DOI: 10.3866/PKU.WHXB201403191

• 1031Abstract/Metrics
• 959 PDF(661KB)

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...
• 2014, 30 (5): 923-931 DOI: 10.3866/PKU.WHXB201403051

• 1412Abstract/Metrics
• 1031 PDF(964KB)

• 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 ...
• 2014, 30 (5): 932-942 DOI: 10.3866/PKU.WHXB201403212

• 2230Abstract/Metrics
• 1787 PDF(1907KB)

• 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 ...
• 2014, 30 (5): 943-949 DOI: 10.3866/PKU.WHXB201403213

• 1054Abstract/Metrics
• 1263 PDF(643KB)

• 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...
• 2014, 30 (5): 950-956 DOI: 10.3866/PKU.WHXB201403111

• 1342Abstract/Metrics
• 1157 PDF(988KB)

• 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 ...
• 2014, 30 (5): 957-964 DOI: 10.3866/PKU.WHXB201403101

• 1032Abstract/Metrics
• 1037 PDF(621KB)

• 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...
• 2014, 30 (5): 965-972 DOI: 10.3866/PKU.WHXB201403171

• 1113Abstract/Metrics
• 1087 PDF(1635KB)

• 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...
• 2014, 30 (5): 973-979 DOI: 10.3866/PKU.WHXB201403071

• 975Abstract/Metrics
• 829 PDF(914KB)

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...
• 2014, 30 (5): 980-986 DOI: 10.3866/PKU.WHXB201403031

• 1032Abstract/Metrics
• 1099 PDF(822KB)

• 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...
• 2014, 30 (5): 987-993 DOI: 10.3866/PKU.WHXB201403112

• 1059Abstract/Metrics
• 823 PDF(636KB)

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...
• 2014, 30 (5): 994-1000 DOI: 10.3866/PKU.WHXB201403131

• 1133Abstract/Metrics
• 1134 PDF(971KB)