Table of Contents

• Cover and Table of Contents for Vol.31 No. 5
• 2015, 31 (5): 0.

• 747Abstract/Metrics
• 881 PDF(7141KB)

REVIEW

• Development of Cd-Based Compound Nanocrystal-Organic Polymer Hybrid Solar Cells
• KOU Yan-Lei, QU Sheng-Chun, LIU Kong, CHI Dan, LU Shu-Di, LI Yan-Pei, YUE Shi-Zhong
• Organic-inorganic hybrid solar cells, which combine the advantages of conjugated polymers and inorganic nanocrystals, ha...
• 2015, 31 (5): 807-816. DOI: 10.3866/PKU.WHXB201503242

• 1521Abstract/Metrics
• 1186 PDF(1015KB)

• Research Progress of Ceria-Based Catalysts in the Selective Catalytic Reduction of NO_x by NH₃
• YAO Xiao-Jiang, GONG Ying-Tao, LI Hong-Li, YANG Fu-Mo
• Nitrogen oxides (NOx), which are emitted from stationary sources (such as coal-fired power plant flue gases) and mobile ...
• 2015, 31 (5): 817-828. DOI: 10.3866/PKU.WHXB201503253

• 1903Abstract/Metrics
• 1434 PDF(1086KB)

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

• Excitation Spectra and Photodissociation Dynamics of the B²П State of the N₂O⁺ Ion
• SUN Zhong-Fa, GAO Zhi, WU Xiang-Kun, TANG Guo-Qiang, ZHOU Xiao-Guo, LIU Shi-Lin
• N2O+ ions in the X2П(0,0,0) ground state were prepared by (3+1) resonance-enhanced multiphoton ionization (REMPI) of jet...
• 2015, 31 (5): 829-835. DOI: 10.3866/PKU.WHXB201503041

• 1077Abstract/Metrics
• 843 PDF(763KB)

• Shock Tube Ignition Delay Measurements of Decalin/Air Mixtures at High Temperatures
• HE Jiu-Ning, LI You-Liang, ZHANG Chang-Hua, LI Ping, LI Xiang-Yuan
• Ignition delay measurements of gas-phase decalin/air mixtures were performed in a shock tube at temperatures of 950-1395...
• 2015, 31 (5): 836-842. DOI: 10.3866/PKU.WHXB201503121

• 1167Abstract/Metrics
• 863 PDF(973KB)

• Extraction Mechanism and Selectivity of UO₂(NO₃)₂ in Tributylphosphine Oxide-Ionic Liquid System
• LIU Hai-Wang, SHEN Xing-Hai, CHEN Qing-De
• The extraction of UO2(NO3)2 from aqueous solution was investigated using trioctylphosphine oxide (TOPO) and tributylphos...
• 2015, 31 (5): 843-851. DOI: 10.3866/PKU.WHXB201503202

• 1138Abstract/Metrics
• 840 PDF(977KB)

THEORETICAL AND COMPUTATIONAL CHEMISTRY

• Reaction Mechanism for the Iron-Catalyzed Biaryl Cross-Coupling of Aryl Grignard Reagents
• REN Qing-Hua, SHEN Xiao-Yan
• Mechanisms for the [Fe(MgBr)2] catalyzed cross-coupling reaction between ortho-chlorostyrene and phenylmagnesium bromide...
• 2015, 31 (5): 852-858. DOI: 10.3866/PKU.WHXB201503026

• 1631Abstract/Metrics
• Supporting Info
• 1019 PDF(1322KB)

• Calculation of Rate Constants for Intramolecular Hydrogen Migration Reactions of Alkylperoxy Radicals
• LI Shang-Jun, TAN Ning-Xin, YAO Qian, LI Ze-Rong, LI Xiang-Yuan
• Intramolecular hydrogen migration in alkylperoxy reactions is one of the most important reaction classes in hydrocarbon ...
• 2015, 31 (5): 859-865. DOI: 10.3866/PKU.WHXB201503131

• 1247Abstract/Metrics
• Supporting Info
• 1079 PDF(2631KB)

• Theoretical Study of Hemicyanine Dye as a Dye-Sensitized Solar Cell Light-Absorbing Material
• LI Hui-Xue, ZUO Guo-Fang, LI Zhi-Feng, WANG Xiao-Feng, ZHENG Ren-Hui
• We used first-principles calculations to investigate the photo-induced electron transfer (PIET) process of the hemicyani...
• 2015, 31 (5): 866-876. DOI: 10.3866/PKU.WHXB201503254

• 1504Abstract/Metrics
• Supporting Info
• 1077 PDF(1511KB)

• Theoretical Study of Adsorption of Chlorinated Phenol Pollutants on Co-Doped Boron Nitride Nanotubes
• WANG Ruo-Xi, ZHANG Dong-Ju, LIU Cheng-Bu
• Chlorinated phenols (CPs) are the main precursors for forming the persistent organic pollutants dioxins and have strong ...
• 2015, 31 (5): 877-884. DOI: 10.3866/PKU.WHXB201503161

• 1638Abstract/Metrics
• 1033 PDF(1250KB)

• Adsorption of Cinnamaldehyde on Icosahedral Au₁₃ and Pt₁₃ Clusters
• XIAO Xue-Chun, SHI Wei, NI Zhe-Ming, ZHANG Lian-Yang, XU Jin-Fang
• The adsorption behavior of cinnamaldehyde on icosahedral Au13 and Pt13 clusters was investigated by density functional t...
• 2015, 31 (5): 885-892. DOI: 10.3866/PKU.WHXB201503181

• 1837Abstract/Metrics
• 989 PDF(959KB)

• Norm Index-Based Quantitative Structure-Activity Relationship to Predict β-Cyclodextrin Complex Binding Constants
• QIAN Hai-Cheng, KANWAL Shahid, JIA Qing-Zhu, WANG Qiang, JI Hui-Fen, ZHU Zhi-Chen, XIA Shu-Qian, MA Pei-Sheng
• Cyclodextrins (CDs) are widely used in the pharmaceutical industry, and the complex stability constant (logK) is an impo...
• 2015, 31 (5): 893-898. DOI: 10.3866/PKU.WHXB201503193

• 1302Abstract/Metrics
• Supporting Info
• 939 PDF(2116KB)

• Stability of Doped C₅₀ and C₇₀ Based on Curvature and Electronic Structures
• BAO Jin-Xiao, WANG Xiao-Xia, WU Tong-Wei, JIA Gui-Xiao, ZHANG Yong-Fan
• The doping energies and electronic structures of B, N, Si, P, and Co in C50 and C70 were investigated using the density ...
• 2015, 31 (5): 899-904. DOI: 10.3866/PKU.WHXB201503201

• 1384Abstract/Metrics
• 711 PDF(763KB)

ELECTROCHEMISTRY AND NEW ENERGY

• Preparation and Electrochemical Performance of Li[Ni_1/3Co_1/3Mn_1/3]O₂ Cathode Material for High-Rate Lithium-Ion Batteries
• ZHANG Ji-Bin, HUAWei-Bo, ZHENG Zhuo, LIU Wen-Yuan, GUO Xiao-Dong, ZHONG Ben-He
• A spherical Li[Ni1/3Co1/3Mn1/3]O2 cathode material for lithium-ion batteries was synthesized using a combination of modi...
• 2015, 31 (5): 905-912. DOI: 10.3866/PKU.WHXB201503091

• 1873Abstract/Metrics
• 1218 PDF(1280KB)

• Electrochemical Performances of Reduced Graphene Oxide/Titanium Dioxide Composites for Sodium-Ion Batteries
• XU Jing, YANG De-Zhi, LIAO Xiao-Zhen, HE Yu-Shi, MA Zi-Feng
• Anatase TiO2 shows excellent long-term cycling stability as an anode for sodium-ion batteries. However, the low specific...
• 2015, 31 (5): 913-919. DOI: 10.3866/PKU.WHXB201503162

• 1855Abstract/Metrics
• 1292 PDF(1371KB)

• Electrochemical Behavior and Extraction Efficiency Evaluation of Gd in Chloride Molten Salt System
• YANG Xiao-Nan, YAN Yong-De, ZHANG Mi-Lin, LI Xing, XUE Yun, HAN Wei
• The electrochemical behavior and thermodynamic properties of GdCl3 in LiCl-KCl molten salt system on both Mo and Al elec...
• 2015, 31 (5): 920-926. DOI: 10.3866/PKU.WHXB201503251

• 1199Abstract/Metrics
• 972 PDF(719KB)

• Dual-Sacrificial Template Synthesis of One-Dimensional Tubular Pt-Mn₃O₄-C Composite with Excellent Electrocatalytic Performance for Methanol Oxidation
• LI Li, HE Xiao-Li, QIN Tao, DAI Fu-Tao, ZHANG Xiao-Hua, CHEN Jin-Hua
• A new Pt-based electrocatalyst with one-dimensional tubular Mn3O4-C as the catalyst support was synthesized by a dual-sa...
• 2015, 31 (5): 927-932. DOI: 10.3866/PKU.WHXB201503241

• 1299Abstract/Metrics
• 1048 PDF(820KB)

CATALYSIS AND SURFACE SCIENCE

• Influence of Tungsten Loadings on the 1-Butene Metathesis Reaction over W/SiO₂/Al₂O₃ Catalysts
• LIU Na, ZHANG Hui, XUE Nian-Hua, DING Wei-Ping
• A series of W/SiO2/Al2O3 catalysts with various tungsten loadings were synthesized via the impregnation method. The as-s...
• 2015, 31 (5): 933-940. DOI: 10.3866/PKU.WHXB201503032

• 1101Abstract/Metrics
• 849 PDF(1143KB)

• Influence of Oxidation State of Nickel Supported on TiO₂ on Gas-Phase Hydrogenation of Acetonitrile
• XIA Long-Fei, JIANG Zhi, SHANGGUAN Wen-Feng, GU Shun-Chao, HIRANO Shinichi
• Nickel catalysts supported on TiO2 were prepared using an impregnation method. Changes in the reduction temperature from...
• 2015, 31 (5): 941-947. DOI: 10.3866/PKU.WHXB201503051

• 1263Abstract/Metrics
• 781 PDF(934KB)

• In-situ Co-Precipitation of Ni-Mg-Al-LDH Catalytic Precursor on γ-Al₂O₃ for Dry Reforming of Methane: Synthesis and Evaluation
• ZHANG Xiao-Qing, XU Yan YAN, YANG Chun-Hui, ZHANG Yan-Ping, YIN Yong-Xiang, SHANG Shu-Yong
• A series of novel catalysts derived from Ni-Mg-Al-LDHs (LDHs: layered double hydroxides) were synthesized in-situ on &ga...
• 2015, 31 (5): 948-954. DOI: 10.3866/PKU.WHXB201503111

• 1864Abstract/Metrics
• 1322 PDF(1292KB)

• Synthesis of Ta/Al-Fe₂O₃ Film Electrode and Its Photoelectrocatalytic Performance in Methylene Blue Degradation
• JIN Huan, WANG Juan, JI Yun, CHEN Mei-Mei, ZHANG Yi, WANG Qi, CONG Yan-Qing
• A novel visible-light-responsive photoanode (Ta/Al-Fe2O3) was fabricated by co-doping Ta and Al into iron oxide. The pro...
• 2015, 31 (5): 955-964. DOI: 10.3866/PKU.WHXB201503112

• 1281Abstract/Metrics
• 1217 PDF(1329KB)

• Regulation of Pore Structure and Acidity of a ZSM-5 Catalyst for Dehydration of Glycerol to Acrolein
• PAN Wen-Ya, HUANG Liang, QIN Feng, ZHUANG Yan, LI Xue-Mei, MA Jian-Xue, SHEN Wei, XU Hua-Long
• Pore structure and acidity of ZSM-5 catalysts were successfully regulated by alkali treatment. ZSM- 5 was etched in 0.2 ...
• 2015, 31 (5): 965-972. DOI: 10.3866/PKU.WHXB201503024

• 1384Abstract/Metrics
• 1143 PDF(895KB)

• Conversion of Cellulose to Butyl Levulinate in Bio-Butanol Medium Catalyzed by Acidic Ionic Liquids
• MA Hao, LONG Jin-Xing, WANG Fu-Rong, WANG Le-Fu, LI Xue-Hui
• Butyl levulinate (BL) is one of the most important biochemicals derived from cellulose, and it is of particular interest...
• 2015, 31 (5): 973-979. DOI: 10.3866/PKU.WHXB201503171

• 1516Abstract/Metrics
• Supporting Info
• 1303 PDF(1201KB)

PHOTOCHEMISTRY AND RADIATION CHEMISTRY

• Quantitative Measurements of Soot Volume Fractions in Diesel Engine Using Laser-Induced Incandescence Method
• TANG Qing-Long, ZHANG Peng, LIU Hai-Feng, YAO Ming-Fa
• Laser-induced incandescence (LII) is an optical diagnostic method used to measure the soot volume fraction in a flame. I...
• 2015, 31 (5): 980-988. DOI: 10.3866/PKU.WHXB201503101

• 1655Abstract/Metrics
• 1261 PDF(1401KB)

PHYSICAL CHEMISTRY OF MATERIALS

• Synthesis and Properties of Naphthalimide Fluorescent Dye and Covalent Fluorescent Polyurethane Emulsion
• JIN Qing-Jun, XU Min, HUANG Xin-Yi, LI Bo-Tian, WANG Ji-Shuai, KAN Cheng-You
• The reactive fluorescent dye 4- methoxy-N-(2- hydroxy- 1- hydroxymethylethyl) naphthalimide (MHHNA) was first synthesize...
• 2015, 31 (5): 989-997. DOI: 10.3866/PKU.WHXB201503252

• 1273Abstract/Metrics
• 1021 PDF(799KB)

• Preparation and Electrocatalytic Activity of Tungsten Carbide-Montmorillonite Composite
• PAN Jian-Ming, YANG Wei, SUN Hai-Biao, ZHENG Xiang, LI Guo-Hua
• The tungsten carbide catalyst is a hot research topic because its catalytic properties are similar to those of platinum....
• 2015, 31 (5): 998-1006. DOI: 10.3866/PKU.WHXB201503191

• 1163Abstract/Metrics
• 1054 PDF(1124KB)