Table of Contents

• Cover and Table of Contents for Vol.31 No. 1
• 2015, 31 (1): 0.

• 1097Abstract/Metrics
• 1049 PDF(6721KB)

REVIEW

• Role of Common Promoters in Rh-Based Catalysts for CO Hydrogenation to C₂-Oxygenates
• CHEN Wei-Miao, DING Yun-Jie, XUE Fei, SONG Xian-Gen
• There is great significance to produce C2-oxygenates such as ethanol via syngas fromcoal, natural gas or biomass frompra...
• 2015, 31 (1): 1-10. DOI: 10.3866/PKU.WHXB201411054

• 2162Abstract/Metrics
• 1505 PDF(531KB)

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

• Volume and Surface Properties of Aqueous [C₅mim][Pro] at 288.15 to 318.15 K
• LI Chi, YANG Hong-Xu, LIU Ru-Jing, YANG Qi, TONG Jing, YANG Jia-Zhen
• The density and surface tension of aqueous 1-pentyl-3-methylimidazoliumpropionate ([C5mim][Pro]) of various molarities w...
• 2015, 31 (1): 11-16. DOI: 10.3866/PKU.WHXB201411063

• 1800Abstract/Metrics
• Supporting Info
• 893 PDF(666KB)

• Crystal Structure and Photophysical Properties of an Iridium(Ⅲ) Pyrazine Complex
• WEI Chuan-Dong, GE Guo-Ping, LI Chun-Yan, LEI Ke-Wei, LIANG Hong-Ze, YU Gang, LIU Zhi-Wei
• An iridium(Ⅲ) complex of (MDPPF)2Ir(acac) (MDPPF=4,4'-difluoro-5-methyl-2,3-diphenylpyrazine, acac=acetylacetone) has be...
• 2015, 31 (1): 17-22. DOI: 10.3866/PKU.WHXB201411212

• 1787Abstract/Metrics
• 791 PDF(489KB)

• Electronic Structure and Photoionization Dissociation Process of FC(O)SNCO
• ZHAO Chun-Hong, TONG Sheng-Rui, GE Mao-Fa, SUN Zheng
• (Fluorocarbonyl) sulfenyl isocyanate (FC(O)SNCO) contains ―C(O)S― and ―NCO groups, so has an interesting electronic and ...
• 2015, 31 (1): 23-31. DOI: 10.3866/PKU.WHXB201410311

• 2223Abstract/Metrics
• 1159 PDF(835KB)

• Fluorescence Spectra of Polycyclic Aromatic Hydrocarbons and Soot Concentration in Partially Premixed Flames of Diesel Surrogate Containing Oxygenated Additives
• ZHANG Peng, LIU Hai-Feng, CHEN Bei-Ling, TANG Qing-Long, YAO Ming-Fa
• Partially premixed laminar flames were formed using our purpose-built burner. The soot reduction mechanism of blends of ...
• 2015, 31 (1): 32-40. DOI: 10.3866/PKU.WHXB201411051

• 2118Abstract/Metrics
• 1290 PDF(896KB)

THEORETICAL AND COMPUTATIONAL CHEMISTRY

• Computational Study of Metal-Organic Frameworks for Removing H₂S from Natural Gas
• XU Hong, TONG Min-Man, WU Dong, XIAO Gang, YANG Qing-Yuan, LIU Da-Huan, ZHONG Chong-Li
• Natural gas is a highly efficient energy source subject to growing demand. Natural gas contains H2S, which can harmhuman...
• 2015, 31 (1): 41-50. DOI: 10.3866/PKU.WHXB201411132

• 2238Abstract/Metrics
• Supporting Info
• 1426 PDF(2125KB)

• Alternative Formation Mechanismof C₅₀Cl₁₀ Fullerene Chloride Based on Density Functional Theory Calculations
• GAN Zuo-Hua, CHEN Shu-Xuan, TAN Kai
• #271C50Cl10 is widely postulated to be a direct chlorination product of cage #271C50. We suggest an alternative formatio...
• 2015, 31 (1): 51-55. DOI: 10.3866/PKU.WHXB201411172

• 1304Abstract/Metrics
• 769 PDF(991KB)

• Reaction Mechanism of Methylation of 4-Methylbiphenyl with Methanol over H-ZSM-5 Zeolite
• LI Ling-Ling, JANIK J. Michael, NIE Xiao-Wa, SONG Chun-Shan, GUO Xin-Wen
• Themethylation of 4-methylbiphenyl (4-MBP) can yield 4,4'-dimethylbiphenyl (4,4'-DMBP), an important precursor for advan...
• 2015, 31 (1): 56-66. DOI: 10.3866/PKU.WHXB201411052

• 1536Abstract/Metrics
• 1051 PDF(2958KB)

• Plasmon Excitation in Silicene Quantum Dots
• YIN Hai-Feng, XIANG Gong-Zhou, YUE Li, ZHANG Hong
• Time-dependent density functional theory has been used to investigate the plasmon excitation processes in silicene quant...
• 2015, 31 (1): 67-72. DOI: 10.3866/PKU.WHXB201411211

• 1558Abstract/Metrics
• 1016 PDF(936KB)

• Predicting Retention and Separation Factors of Chiral Diarylmethane Derivates by QSPR Models
• HU Gui-Xiang, LUO Cheng-Cai, PAN Shan-Fei, JIANG Yong-Jun, ZOU Jian-Wei
• Quantitative structure-property relationship (QSPR) studies on retention and separation factors of chiral compounds play...
• 2015, 31 (1): 73-82. DOI: 10.3866/PKU.WHXB201410281

• 1452Abstract/Metrics
• 893 PDF(587KB)

• Counterion Effects on the Properties of Sulfate Surfactants at the Air/Liquid Interface by Molecular Dynamics Simulation
• HU Song-Qing, JI Xian-Jing, FAN Zhong-Yu, ZHANG Tian-Tian, SUN Shuang-Qing
• Molecular dynamics (MD) simulations have been carried out to study the micro-interfaces between counterions (Li+, Na+, K...
• 2015, 31 (1): 83-89. DOI: 10.3866/PKU.WHXB201411191

• 1847Abstract/Metrics
• 1176 PDF(1714KB)

ELECTROCHEMISTRY AND NEW ENERGY

• Preparation and Supercapacitive Performance of Three-Dimensional Reduced Graphene Oxide/Polyaniline Composite
• WANG Jian-De, PENG Tong-Jiang, XIAN Hai-Yang, SUN Hong-Juan
• Three-dimensional reduced graphene oxide (RGO)/polyaniline (PANI) composite has been prepared in a single step by the ul...
• 2015, 31 (1): 90-98. DOI: 10.3866/PKU.WHXB201411202

• 2318Abstract/Metrics
• 1830 PDF(4046KB)

• Fabrication of Nickel-Based Composite Film Electrode for Supercapacitors by a New Method of Anodization/GCD
• YI Chao, XIONG Xin-Bo, ZOU Zhi-Biao, LI Jun-Jie, HUANG Tuo, LI Bin, MA Jun, ZENG Xie-Rong
• Anickel-based composite filmwas fabricated on Ni foil, by two-electrode anodization and galvanostatic charge-discharge (...
• 2015, 31 (1): 99-104. DOI: 10.3866/PKU.WHXB201411053

• 2259Abstract/Metrics
• 1334 PDF(1331KB)

• Single-Molecule Junction Conductance of Terephthalic Acid Contacting Ag and Cu Electrodes Measured by an Electrochemical Method
• HAN Di, HONG Ze-Wen, LI Dong-Fang, ZHENG Ju-Fang, WANG Ya-Hao, ZHOU Xiao-Shun
• The single-molecule junction conductance of terephthalic acid binding to Cu andAg electrodes was measured by an electroc...
• 2015, 31 (1): 105-110. DOI: 10.3866/PKU.WHXB201410223

• 1611Abstract/Metrics
• 1022 PDF(1373KB)

• Effects of Cathode Current Collectors on the Electrochemical Performance of Rechargeable Magnesium Batteries
• SU Shuo-Jian, NULI Yan-Na, FEILURE Tuerxun, YANG Jun, WANG Jiu-Lin
• The effects of different cathode current collectors (stainless steel, nickel, copper, and titanium) on the electrochemic...
• 2015, 31 (1): 111-120. DOI: 10.3866/PKU.WHXB201411173

• 1821Abstract/Metrics
• 1224 PDF(4508KB)

• Quasi-Solid-State Dye-Sensitized Solar Cell Fabricated fromIonic Gel Electrolyte with High Gel-to-Solution Transition Temperature
• TAO Li, HUO Zhi-Peng, WANG Lu, DAI Song-Yuan
• Dye-sensitized solar cells (DSCs) have aroused much interest because of their low cost and comparatively high power conv...
• 2015, 31 (1): 121-127. DOI: 10.3866/PKU.WHXB201411032

• 1581Abstract/Metrics
• Supporting Info
• 831 PDF(732KB)

SOFT MATTER

• Influence of Acetylation on the Microstructure of Alkali Lignin in Tetrahydrofuran
• LI Hao, DENG Yong-Hong, QIU Xue-Qing
• The effect of acetylation on the microstructure of alkali lignin (AL) in tetrahydrofuran (THF) was studied. The physicoc...
• 2015, 31 (1): 128-136. DOI: 10.3866/PKU.WHXB201411062

• 1859Abstract/Metrics
• 1301 PDF(1613KB)

CATALYSIS AND SURFACE SCIENCE

• Hydrogenation of Nitrobenzene Catalyzed by Metal-Organic Framework-Supported Ni Nanoparticles
• JIANG Jun, LI Gang, KONG Ling-Hao
• The metal-organic frameworks (MOFs), MIL-53(Al), MIL-96(Al), and MIL-120(Al) (MIL: Material Institute of Lavorisier) wer...
• 2015, 31 (1): 137-144. DOI: 10.3866/PKU.WHXB201411171

• 2168Abstract/Metrics
• 1417 PDF(2068KB)

• Preparation of Pd/Co Bimetallic Nanoparticles and Their Catalytic Activity for Hydrogen Generation
• ZHAO Wan-Guo, SU Li, ZHOU Zhen-Ning, ZHANG Hai-Jun, LU Li-Lin, ZHANG Shao-Wei
• Reported here is a facile route for the synthesis of polyvinyl pyrrolidone (PVP)-stabilized Pd/Co bimetallic nanoparticl...
• 2015, 31 (1): 145-152. DOI: 10.3866/PKU.WHXB201410241

• 1691Abstract/Metrics
• 1260 PDF(2616KB)

• Preparation of NiS-Modified Cd_1-xZn_xS by a Hydrothermal Method and Its Use for the Efficient Photocatalytic H₂ Evolution
• LIN Cai-Fang, CHEN Xiao-Ping, CHEN Shu, SHANGGUAN Wen-Feng
• NiS-modified Cd1-xZnxS has been prepared using a simple hydrothermal method. Notably, the H2 evolution rate of 0.5% (y, ...
• 2015, 31 (1): 153-158. DOI: 10.3866/PKU.WHXB201411175

• 1624Abstract/Metrics
• 1184 PDF(1286KB)

• Effect of K⁺ Doping on the Band Structure and Photocatalytic Performance of Graphitic Carbon Nitride Photocatalysts
• ZHANG Jian, WANG Yan-Juan, HU Shao-Zheng
• Aseries of band gap-tunable K+ doped graphitic carbon nitride (g-C3N4) photocatalysts have been prepared using potassium...
• 2015, 31 (1): 159-165. DOI: 10.3866/PKU.WHXB201411201

• 2489Abstract/Metrics
• 1511 PDF(727KB)

• Influence of Cu on the K-LaZrO₂ Catalyst for Isobutanol Synthesis
• WU Ying-Quan, WANG Si-Chen, XIE Hong-Juan, GAO Jun-Wen, TIAN Shao-Peng, HAN Yi-Zhuo, TAN Yi-Sheng
• The K-LaZrO2 and K-CuLaZrO2 catalysts used for the synthesis of isobutanol fromsyngas have been characterized by X-ray d...
• 2015, 31 (1): 166-172. DOI: 10.3866/PKU.WHXB201411241

• 1282Abstract/Metrics
• 1109 PDF(741KB)

• Removal of Volatile Organic Compounds at Low Temperature by a Self-Assembled Pt/γ-Al₂O₃ Catalyst
• LI Jia-Heng, AO Ping, LI Xiao-Qing, XU Xiang-Sheng, XU Xiao-Xiao, GAO Xiang, YAN Xin-Huan
• Pt/γ-Al2O3 catalyst nanoparticles were prepared by self-assembly (AS) and wetness impregnation (WI) methods, and e...
• 2015, 31 (1): 173-180. DOI: 10.3866/PKU.WHXB201411131

• 1638Abstract/Metrics
• 958 PDF(1280KB)

• One-Step Synthesis of Hierarchical ZSM-5 Zeolite Microspheres Using Alkyl-Polyamines as Single Templates
• CHEN Li, XUE Teng, ZHU Shu-Yan, WANG Yi-Meng
• Diethylenetriamine (DETA), triethylenetetramine (TETA), and tetraethylenepentamine (TEPA) were used as single templates ...
• 2015, 31 (1): 181-188. DOI: 10.3866/PKU.WHXB201411174

• 1545Abstract/Metrics
• 1160 PDF(3128KB)

PHYSICAL CHEMISTRY OF MATERIALS

• Epitaxial Growth of Single-Crystalline Barium Carbonate Microcone Arrays on (104) Face of Calcite
• WU Wei-Ke, ZHANG Yu-Zhe, LI Bin, MA Yu-Rong
• Heteroepitaxial growth of single-crystalline witherite (BaCO3) microcone arrays on the (104) face of calcite (CaCO3) was...
• 2015, 31 (1): 189-198. DOI: 10.3866/PKU.WHXB201411031

• 1701Abstract/Metrics
• 1230 PDF(5472KB)