Current Issue
- 2014 Vol. 30,No. 6 Published: 26 May 2014
- Current column
- Table of Contents
- REVIEW
- THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
- THEORETICAL AND COMPUTATIONAL CHEMISTRY
- ELECTROCHEMISTRY AND NEW ENERGY
- SOFT MATTER
- CATALYSIS AND SURFACE SCIENCE
- PHOTOCHEMISTRY AND RADIATION CHEMISTRY
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Table of Contents
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- Cover and Table of Contents for Vol.30 No. 6
- 2014, 30 (6): 0.
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REVIEW
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- Recent Developments of Azatriphenylene Materials as n-Type Organic Semiconductors
- WU Nan, HE Zhi-Qun, XU Min, XIAO Wei-Kang
- Discotic liquid crystals are a new class of organic electronic materials, and most of these materials display hole-trans...
- 2014, 30 (6): 1001-1016. DOI: 10.3866/PKU.WHXB201404012
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THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
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- A Reaction Mechanismof Polycyclic Aromatic Hydrocarbons for Gasoline Surrogate Fuels TRF
- LI Yan-Rong, PEI Yi-Qiang, QIN Jing, ZHANG Miao
- A detailed reaction mechanism consisting of 287 species and 1569 reactions for gasoline surrogate fuels TRF (toluene ref...
- 2014, 30 (6): 1017-1026. DOI: 10.3866/PKU.WHXB201401251
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- Systematic Approach to Automatic Construction of High-Temperature Combustion Mechanisms of Alkanes
- GUO Jun-Jiang, HUA Xiao-Xiao, WANG Fan, TAN Ning-Xin, LI Xiang-Yuan
- Detailed chemical kinetic mechanisms were developed using the automatic mechanismgeneration software ReaxGen to describe...
- 2014, 30 (6): 1027-1041. DOI: 10.3866/PKU.WHXB201404031
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- Construction and Analysis of a Chemical Kinetic Model for Monomethylhydrazine/Nitrogen Tetroxide Reactions
- BA Yan-Tao, HOU Ling-Yun, MAO Xiao-Fang, WANG Feng-Shan
- A reduced chemical kinetic model including 20 reactions and 23 species devoted to the gasphase reaction of monomethylhyd...
- 2014, 30 (6): 1042-1048. DOI: 10.3866/PKU.WHXB201404093
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THEORETICAL AND COMPUTATIONAL CHEMISTRY
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- Near-Infrared Plasmon Study on N-Doped Hexagonal Graphene Nanostructures
- YIN Hai-Feng, ZHANG Hong, YUE Li
- Near-infrared plasmons in N-doped hexagonal graphene nanostructures were investigated using time-dependent density funct...
- 2014, 30 (6): 1049-1054. DOI: 10.3866/PKU.WHXB201404092
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- First-Principles Study on the Microstructure of Triple-Phase Boundaries in the Ni/Yttria-Stabilized Zirconia Anode
- FU Zhao-Ming, WANG Ming-Yang, ZHANG Yan-Xing, ZHANG Na, YANG Zong-Xian
- Using the classical Monte Carlo method and density functional theory (DFT) calculations, various stable adsorption confi...
- 2014, 30 (6): 1055-1060. DOI: 10.3866/PKU.WHXB201404231
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- Theoretical Study on the effect of a Single Water Molecule on the H2O2+Cl Gas Reaction
- XU Qiong, ZHANG Tian-Lei, Lü Wen-Bin, WANG Rui, WANG Zhi-Yin, WANG Wen-Liang, WANG Zhu-Qing
- The reaction mechanism and rate constant of the H2O2+Cl reaction, with and without a single water molecule, was investig...
- 2014, 30 (6): 1061-1070. DOI: 10.3866/PKU.WHXB201404032
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- Interaction and Properties of Proline-Zn2+/1+/0 Complexes
- SUN Xiao-Ling, JIN Qin, WANG Yan-Ni, CAI Yue-Piao, WANG Chao-Jie
- The hybrid density functional theory (DFT) methods M062X and X3LYP with the TZVP and 6-311++G(2d, p)+LANL2DZ basis sets ...
- 2014, 30 (6): 1071-1085. DOI: 10.3866/PKU.WHXB201404151
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- Structure-Property Relationship for the Pharmacological and Toxicological Activity of Heterocyclic Compounds
- ZHU Zhi-Chen, WANG Qiang, JIA Qing-Zhu, XIA Shu-Qian, MA Pei-Sheng
- Heterocyclic molecules play a crucial role in health care and in pharmaceutical drug design. A large number of drugs use...
- 2014, 30 (6): 1086-1090. DOI: 10.3866/PKU.WHXB201404161
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- Predicting the Protein Folding Rate Based on Sequence Feature Screening and Support Vector Regression
- LI Yong, ZHOU Wei, DAI Zhi-Jun, CHEN Yuan, WANG Zhi-Ming, YUAN Zhe-Ming
- Folding rate prediction plays an important role in clarifying the protein folding mechanism. In this work, we collected ...
- 2014, 30 (6): 1091-1098. DOI: 10.3866/PKU.WHXB201404091
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ELECTROCHEMISTRY AND NEW ENERGY
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- Effect of HF Treatment on the Photoelectrochemical Properties of a Hematite Thin Film Photoanode for Water Splitting
- HU Yu-Xiang, JIANG Chun-Xiang, FANG Liang, ZHENG Fen-Gang, DONG Wen, SU Xiao-Dong, SHEN Ming-Rong
- The effects of HF treatment on the photoelectrochemical (PEC) properties of sol-gel prepared hematite (α-Fe2O3) th...
- 2014, 30 (6): 1099-1106. DOI: 10.3866/PKU.WHXB201404282
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- Synthesis of Mesoporous TiO2 Microspheres and Their Use as Scattering Layers in Quantum Dot Sensitized Solar Cells
- BAI Shou-Li, LU Wen-Hu, LI Dian-Qing, LI Xiao-Ning, FANG Yan-Yan, LIN Yuan
- Mesoporous TiO2 microspheres (MSs) were successfully synthesized by the direct hydrolysis of TiCl4 in ethanol aqueous so...
- 2014, 30 (6): 1107-1112. DOI: 10.3866/PKU.WHXB201404111
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- Hydrothermal Sol-Gel Method for the Synthesis of a Multiwalled Carbon Nanotube-Na3V2(PO4)3 Composite as a Novel Electrode Material for Lithium-Ion Batteries
- WANG Wen-Jun, ZHAO Hong-Bin, YUAN An-Bao, FANG Jian-Hui, XU Jia-Qiang
- We report the synthesis of a novel multiwalled carbon nanotube-Na3V2(PO4)3 (MWCNT-NVP) composite with excellent electroc...
- 2014, 30 (6): 1113-1120. DOI: 10.3866/PKU.WHXB201404182
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- Synthesis and Modification of a Lamellar Co3O4 Anode for Lithium-Ion Batteries
- HUANG Guo-Yong, XU Sheng-Ming, LI Lin-Yan, WANG Xue-Jun, LU Sha-Sha
- For advanced performance lithium-ion batteries (LIBs) various novel electrode materials with high energy density have be...
- 2014, 30 (6): 1121-1126. DOI: 10.3866/PKU.WHXB201404221
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- Influence of Heat Treatment Temperature on the Structure and Electrochemical Performance of Asphaltene-Based B/N Co-Doped Porous Carbons
- ZHOU Ying, WANG Dao-Long, XIAO Nan, HOU Yu-Chen, QIU Jie-Shan
- B/N co-doped porous carbons have been synthesized by heat treatment at different temperatures using asphaltene from coal...
- 2014, 30 (6): 1127-1133. DOI: 10.3866/PKU.WHXB201404013
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SOFT MATTER
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- Mechanism behind the Inhibition of Sweetness Intensity of Aspartame by Guar Gum and Locust Bean Gum
- XU Shu-Zhen, HAN Xue, TIAN Jun-Nan, WU Zhai, CHEN Zhong-Xiu
- Current research on the effects of macromolecular hydrocolloids on sweetness is mainly focused on the properties of hydr...
- 2014, 30 (6): 1134-1141. DOI: 10.3866/PKU.WHXB201404251
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- Salt Effects on the Network-Like Aggregates of Gemini Surfactant Studied by Dynamic Light Scattering
- LIU Fen, XIE Dan-Hua, ZHAO Jian-Xi
- The effects of different salts on the self-assembly of the carboxylate Gemini surfactant O,O'-bis (sodium 2-dodecylcarbo...
- 2014, 30 (6): 1142-1147. DOI: 10.3866/PKU.WHXB201404011
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CATALYSIS AND SURFACE SCIENCE
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- Transition Metal Promoted ZSM-5 Catalysts for the Conversion of Dimethyl Sulfide into Methanethiol
- CHEN Shi-Ping, WANG Wei-Ming, LIU Ying-Wei, WEI Yu-Cai, YUAN Cheng-Long, FANG Wei-Ping, YANG Yi-Quan
- ZSM-5-supported transition metal catalysts were prepared and used to catalyze the conversion of dimethyl sulfide (DMS) i...
- 2014, 30 (6): 1148-1154. DOI: 10.3866/PKU.WHXB201404181
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- Preparation of Cu/Zn/Al/(Zr)/(Y) Catalysts from Hydrotalcite-Like Precursors and Their Catalytic Performance for the Hydrogenation of CO2 to Methanol
- GAO Peng, LI Feng, ZHAO Ning, WANG Hui, WEI Wei, SUN Yu-Han
- Cu/Zn/Al/(Zr)/(Y) hydrotalcite-like compounds with Cu:Zn:Al:Zr:Y atomic ratios of 2:1:1:0:0, 2:1: 0.8:0.2:0, 2:1:0.8:0:0...
- 2014, 30 (6): 1155-1162. DOI: 10.3866/PKU.WHXB201401252
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- Influence of Acid-Base Properties of K-Loaded Aluminophosphate Catalysts on Their Catalytic Behavior in the O-Methylation of Catechol
- LIU Gang, YANG Lu-Xin, WU Shu-Jie, JIA Ming-Jun, ZHANG Wen-Xiang
- K-loaded aluminophosphates prepared by impregnation were characterized by X-ray diffraction (XRD), Fourier transform inf...
- 2014, 30 (6): 1163-1168. DOI: 10.3866/PKU.WHXB201404081
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- Nitrogen-Rich Microporous Carbon Derived from Melamine-Based Porous Polymer for Selective CO2 Adsorption
- HU Jing-Xiu, ZHANG Jing, ZOU Jian-Feng, XIAO Qiang, ZHONG Yi-Jun, ZHU Wei-Dong
- Nitrogen-rich microporous carbon (NMC) was prepared by the carbonization of a melaminebased porous polymer (POP), which ...
- 2014, 30 (6): 1169-1174. DOI: 10.3866/PKU.WHXB201404223
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- Selective Catalytic Reduction of NO with NH3 over MnOx-CeO2-WO3-ZrO2：Effect of Calcination Temperature
- YU Zai-Lu, XIE Peng-Fei, TANG Xing-Fu, YUE Ying-Hong, HUA Wei-Ming, GAO Zi
- MnOx-CeO2-WO3-ZrO2 catalysts were prepared by co-precipitation and calcined at various temperatures (500, 600, 700, and ...
- 2014, 30 (6): 1175-1179. DOI: 10.3866/PKU.WHXB201404171
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- In situ Synthesis of Reduced Graphene Oxide Supported Co Nanoparticles as Efficient Catalysts for Hydrogen Generation from NH3BH3
- YANG Yu-Wen, FENG Gang, LU Zhang-Hui, HU Na, ZHANG Fei, CHEN Xiang-Shu
- Cobalt nanoparticles (NPs) supported on reduced graphene oxide (RGO) were synthesized by a one-step in situ co-reduction...
- 2014, 30 (6): 1180-1186. DOI: 10.3866/PKU.WHXB201404141
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- Enhanced Sulfur Resistance of Pt-Pd/CeO2-ZrO2-Al2O3 Commercial Diesel Oxidation Catalyst by SiO2 Surface Cladding
- YANG Zheng-Zheng, YANG Yi, ZHAO Ming, GONG Mao-Chu, CHEN Yao-Qiang
- In this work, porous SiO2 was added to the Pt-Pd/CeO2-ZrO2-Al2O3 (Pt-Pd/CZA) commercial diesel oxidation catalyst (DOC) ...
- 2014, 30 (6): 1187-1193. DOI: 10.3866/PKU.WHXB201404281
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PHOTOCHEMISTRY AND RADIATION CHEMISTRY
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- Synthesis of BaSO4 Nanofibers Controlled by the Yield of Hydrated Electrons in AOT-Based Microemulsions
- XU Wen-Li, CHEN Qing-De, SHEN Xing-Hai
- Single-crystal BaSO4 nanofibers and multi-architecture bundles were successfully synthesized in sodium bis(2-ethylhexyl)...
- 2014, 30 (6): 1194-1200. DOI: 10.3866/PKU.WHXB201404291
