Table of Contents

• Cover and Table of Contents for Vol.28 No. 11
• 2012, 28 (11): 0

• 1211Abstract/Metrics
• 1746 PDF(6457KB)

INVITED COMMENT

• 2012年度国家自然科学基金化学科学三处项目评审总结
• CHANG Qing-Hua, LEI Jing-Lei, GAO Fei-Xue, YANG Jun-Lin
• 2012, 28 (11): 2507 -2510 DOI: 10.3866/PKU.WHXB201209264

• 5780Abstract/Metrics
• 2807 PDF(367KB)

REVIEW

• Research Progress in Silver Nanoplates
• MO Bo, KAN Cai-Xia, KE Shan-Lin, CONG Bo, XU Li-Hong
• Metal nanostructures have unique properties that differ from their bulk structures. Among the various silver nanostructu...
• 2012, 28 (11): 2511 -2524 DOI: 10.3866/PKU.WHXB201208132

• 3919Abstract/Metrics
• 2374 PDF(2040KB)

• Preparation and Controlled Assembly of Asymmetric Janus Particles
• YANG Yi, YE Wei, CHEN Xiao
• Janus particles have different or asymmetric hemispheres both in structure and chemical properties. These particles have...
• 2012, 28 (11): 2525 -2535 DOI: 10.3866/PKU.WHXB201208222

• 5711Abstract/Metrics
• 3675 PDF(1009KB)

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

• Reduction of the Detailed Kinetic Mechanism for High-Temperature Combustion of n-Dodecane
• FANY Ya-Mei, WANY Quan-De, WANY Fan, LI Xiang-Yuan
• The detailed chemical kinetic mechanism for high-temperature combustion of n-dodecane was systematically reduced via int...
• 2012, 28 (11): 2536 -2542 DOI: 10.3866/PKU.WHXB201208201

• 2704Abstract/Metrics
• 1584 PDF(1700KB)

• Ultrafast Internal Conversion Dynamics of 2-Chloropyridine by Femtosecond Time-Resolved Photoelectron Imaging
• GHAZAl Ahmed-Yousif, QIU Xue-Jun, QIN Chao-Chao, LONG Jin-You, ABULIMITI Bumaliya, ZHANG Bing
• Ultrafast internal conversion dynamics of 2-chloropyridine were studied by femtosecond time-resolved photoelectron imagi...
• 2012, 28 (11): 2543 -2548 DOI: 10.3866/PKU.WHXB201208135

• 2270Abstract/Metrics
• 1117 PDF(921KB)

• Syntheses, Structures and Photoelectron Property of a Series of Cu(II/I) Coordination Polymers
• JIN Jing, XU Xiao-Ting, CONG Sheng-Mei, LI Lei, ZHANG Guang-Ning, NIU Shu-Yun
• Three Cu(II/I) coordination polymers/supramolecules were obtained by means of hydrothermal synthesis: (1) [K2Cu2(ox)(bte...
• 2012, 28 (11): 2549 -2557 DOI: 10.3866/PKU.WHXB201207311

• 3906Abstract/Metrics
• Supporting Info
• 1350 PDF(852KB)

• Simulation Study of the Effect ofMethanol on the Structure and Properties of 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid
• WANG Ding, TIAN Guo-Cai
• The microstructure and properties of 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM] [BF4])/methanol mixtures with...
• 2012, 28 (11): 2558 -2566 DOI: 10.3866/PKU.WHXB201208271

• 3353Abstract/Metrics
• Supporting Info
• 1799 PDF(2118KB)

THEORETICAL AND COMPUTATIONAL CHEMISTRY

• Equilibrium Solubility Modeling of CO₂ in Na₂Cr₂O₇ Solutions
• ZHOU En-Nian, YU Zhi-Hui, QU Jing-Kui, Qi Tao, Han Xiao-Ying, ZHANG Guo-Qing
• The solubility of CO2 in aqueous Na2Cr2O7 solutions of different concentrations (0, 0.361, 0.650, and 0.901 mol·k...
• 2012, 28 (11): 2567 -2573 DOI: 10.3866/PKU.WHXB201208211

• 2375Abstract/Metrics
• 1132 PDF(571KB)

• Asymmetrical Inter-Cage Electron Transfer Electromers and Their Transfer Characteristics Under Electric Fields
• WANG Yin-Feng, HUANG Jian-Gen, ZHOU Guang-Pei, LI Zhi-Ru
• The asymmetrical, double-cage-shaped, single molecular solvated electron compounds e-@C24F22(NH)2C20F18 (1, 2, and 3) we...
• 2012, 28 (11): 2574 -2580 DOI: 10.3866/PKU.WHXB201207302

• 3217Abstract/Metrics
• Supporting Info
• 1490 PDF(2108KB)

• Statistical Correction of Heat of Formation Calculated by the O3LYP Method
• WANG Xiu-Jun, LONG Mi
• The results of density functional theory calculations are known to contain inherent numerical errors caused by various i...
• 2012, 28 (11): 2581 -2588 DOI: 10.3866/PKU.WHXB201207172

• 2428Abstract/Metrics
• 1200 PDF(1346KB)

• Effects of Excited State Vibrational Coherence on Photo-Induced Electron Transfer Rates in Dye-Sensitized Nanocrystalline TiO₂
• JIANG Li-Lin, LU Xi-Yin, SONG Yun-Fei, LIU Wei-Long, YANG Yan-Qiang
• Based on the expression for the electron occupation probability of the excited state, and the empirical formula of the F...
• 2012, 28 (11): 2589 -2596 DOI: 10.3866/PKU.WHXB201207192

• 2519Abstract/Metrics
• 1046 PDF(1433KB)

• Optoelectronic Properties for Main Group Element-Bridged Ladder Compounds
• LIU Shu-Juan, MA Ting-Chun, XU Wen-Juan, LIU Xiang-Mei, ZHAO Qiang, HUANG Yan-Qin, HUANG Wei
• Ladder-type π-conjugated molecules with fully ring-fused structures have fascinating optoelectronic properties becaus...
• 2012, 28 (11): 2597 -2604 DOI: 10.3866/PKU.WHXB201208272

• 2977Abstract/Metrics
• Supporting Info
• 1289 PDF(1077KB)

• Thermal Decomposition Mechanism of β-HMX under High Pressures via ReaxFF Reactive Molecular Dynamics Simulations
• ZHOU Ting-Ting, SHI Yi-Ding, HUANG Feng-Lei
• The thermal decomposition mechanisms of condensed phase β-HMX at various densities (ρ= 1.89, 2.11, 2.22, 2.46, ...
• 2012, 28 (11): 2605 -2615 DOI: 10.3866/PKU.WHXB201208031

• 3158Abstract/Metrics
• Supporting Info
• 2350 PDF(3418KB)

ELECTROCHEMISTRY AND NEW ENERGY

• Online Electrochemistry/Electrospray Mass Spectrometry with a Coaxial Probe for Investigation of Electrochemical Derivatization of Anthracene with Dodecylamine
• LING Xing, DING Chuan-Fan
• In the present study, a coaxial probe was used for online electrochemistry/electrospray mass spectrometry (EC/ES-MS). Th...
• 2012, 28 (11): 2616 -2624 DOI: 10.3866/PKU.WHXB201208133

• 2847Abstract/Metrics
• Supporting Info
• 1187 PDF(844KB)

• Effects of Current Collectors on the Electrochemical Performance of Electrolytes for Rechargeable Magnesium Batteries
• CHEN Qiang, NULI Yanna, YANG Jun, KAILIBINUER Kerimu, WANG Jiulin
• The effects of metal (platinum, nickel, stainless steel (SS), copper and aluminum) and carbon paper (carbon fiber, graph...
• 2012, 28 (11): 2625 -2631 DOI: 10.3866/PKU.WHXB201208032

• 4163Abstract/Metrics
• 2297 PDF(1380KB)

• Photoelectric Conversion Efficiency of N719/TiO₂-Inx%/FTO Film Electrodes Incorporating In Doped at the TiO₂ Surface
• CHENG Hui, YAO Jiang-Hong, CAO Ya-An
• Nanoparticles of TiO2 with surface modification by In doping were prepared using a sol-gel technique. These materials ha...
• 2012, 28 (11): 2632 -2640 DOI: 10.3866/PKU.WHXB201207301

• 2575Abstract/Metrics
• 1553 PDF(925KB)

• Novel Organosilicon Ionic Liquid Based Electrolytes for Supercapacitors
• ZhONG Hao-Xiang, ZHAO Chun-Bao, LUO Hao, ZHANG Ling-Zhi
• A novel room temperature organosilicon ionic liquid (SiN1IL) was synthesized and its chemical structure and electrochemi...
• 2012, 28 (11): 2641 -2647 DOI: 10.3866/PKU.WHXB201207181

• 3668Abstract/Metrics
• 1580 PDF(657KB)

• Influence of Reducer on the Nanopore Structure of Porous Anodic Alumina
• ZHU Xu-Fei, HAN Hua, MA Hong-Tu, LU Chao, QI Wei-Xing, XU Chen
• In recent years, attention has been focused on adjustment and control of the nanostructures of porous anodic alumina (PA...
• 2012, 28 (11): 2648 -2658 DOI: 10.3866/PKU.WHXB201208151

• 2501Abstract/Metrics
• 1674 PDF(2696KB)

• Effect of Urea on Microbiologically Induced Corrosion of Carbon Steel in Soil
• SUN Cheng, LI Xi-Ming, XU Jin, YAN Mao-Cheng, WANG Fu-Hui, WANG Zhen-Yao
• The effect of urea on microbiologically induced corrosion (MIC) of carbon steel in soil was investigated using weight-lo...
• 2012, 28 (11): 2659 -2668 DOI: 10.3866/PKU.WHXB201208243

• 2656Abstract/Metrics
• 1343 PDF(3120KB)

• Influence of Polymer Gel Electrolyte on the Performance of Dye-Sensitized Solar Cells Analyzed by Electrochemical Impedance Spectroscopy
• DAI Yu-Hua, LI Xiao-Jie, FANG Yan-Yan, SHI Qiu-Fei, LIN Yuan, YANG Ming-Shan
• The effects of gel electrolyte polymer matrix structure and composition on the photovoltaic properties of quasi-solid st...
• 2012, 28 (11): 2669 -2675 DOI: 10.3866/PKU.WHXB201206191

• 3186Abstract/Metrics
• 1680 PDF(867KB)

• Preparation of ZnO/In₂O₃ Composite Hollow Spheres and Their Photoelectrocatalytic Properties to Glucose Degradation
• LI Wei-Bing, BU Yu-Yu, YU Jian-Qiang
• A series of materials consisting of ZnO/In2O3 composite hollow spheres were successfully prepared by a two-step process ...
• 2012, 28 (11): 2676 -2682 DOI: 10.3866/PKU.WHXB201207101

• 2612Abstract/Metrics
• 1654 PDF(1255KB)

SOFT MATTER

• Synthesis and Characterization of Temperature-Sensitivity P(MEO₂MA-co-OEGMA) Copolymers
• LÜ Hai-Yan, LIU Shou-Xin, XU Chao, TIAN Rong, WANG Li
• Temperature-responsive P(MEO2MA-co-OEGMA) copolymers of 2-(2-methoxyethoxy) ethyl methacrylate (MEO2MA) and oligo(ethyle...
• 2012, 28 (11): 2683 -2689 DOI: 10.3866/PKU.WHXB201207161

• 4226Abstract/Metrics
• 2217 PDF(1354KB)

CATALYSIS AND SURFACE SCIENCE

• Effect of pH Value on the Properties of Molybdenum-Based Multiphasic Oxide Catalysts in Selective Oxidation of Isobutene to Methacrolein
• XU Da, LIU Shi-Yan, LIU Yun-Ling, WANG Zhen-Lü
• The effect of different pH values on Mo-Bi-Fe-Co-Mn multiphasic oxide catalysts prepared via co-precipitation methods wa...
• 2012, 28 (11): 2690 -2696 DOI: 10.3866/PKU.WHXB201208282

• 3921Abstract/Metrics
• 1269 PDF(539KB)

• Highly-Dispersed NiO Nanoparticles on SBA-15 for Oxidative Dehydrogenation of Propane to Propylene
• LU Huai-Qian, SHI Lei, HE Chong, WENG Wei-Zheng, HUANG Chuan-Jing, WAN Hui-Lin
• A series of NiO/SBA-15 (wNiO=20%) catalysts were prepared by impregnating SBA-15 with an aqueous solution of nickel nitr...
• 2012, 28 (11): 2697 -2704 DOI: 10.3866/PKU.WHXB201207091

• 2609Abstract/Metrics
• 1361 PDF(811KB)

• Catalytic Conversion of Methanol to Propylene over (NH₄)₂SiF₆-Modified Nanosized HZSM-5 Zeolite
• HU Si, ZHANG Qing, XIA Zhi, GONG Yan-Jun, XU Jun, DENG Feng, DOU Tao
• (NH4)2SiF6-modified nanosized HZSM-5 zeolite was prepared and investigated as a catalyst formethanol to propylene conver...
• 2012, 28 (11): 2705 -2712 DOI: 10.3866/PKU.WHXB201207171

• 2737Abstract/Metrics
• Supporting Info
• 1386 PDF(776KB)

• Photocatalytic Properties of Aluminum Doped Zinc Oxide Nanocrystals Controlled Prepared via a Synergistic Ultrasonic/Hydrothermal Technique
• YANG Xiao-Hong, TONG Qin, LIU Chang, LIU Jin-Ku, HE Wen-Zhi, LI Guang-Ming
• Aluminum doped zinc oxide (ZAO) nanocrystals approximately 20 nm in diameter and with good dispersity and crystallinity ...
• 2012, 28 (11): 2713 -2720 DOI: 10.3866/PKU.WHXB201207163

• 3101Abstract/Metrics
• 1502 PDF(4179KB)

BIOPHYSICAL CHEMISTRY

• Adsorption of Core-Shell Poly(Methyl Methacrylate)-Bovine Serum Albumin Nanoparticles on Gold Surface and Its Sensor Application
• HE Chuan-Xin, YUAN An-Peng, ZHANG Qian-Lin, REN Xiang-Zhong, LI Cui-Hua, LIU Jian-Hong
• Core-shell poly(methyl methacrylate)-bovine serum albumin (PMMA-BSA) nanoparticles with PMMA cores and BSA shells were p...
• 2012, 28 (11): 2721 -2728 DOI: 10.3866/PKU.WHXB201207191

• 3765Abstract/Metrics
• 1675 PDF(2132KB)

• Division of Protein Surface Patches and Its Application in Protein Binding Site Prediction
• WANG Pan-Wen, GONG Xin-Qi, LI Chun-Hua, CHEN Wei-Zu, WANG Cun-Xin
• Binding site prediction for protein-protein complexes is a challenging problem in the area of computational molecular bi...
• 2012, 28 (11): 2729 -2734 DOI: 10.3866/PKU.WHXB201208162

• 2928Abstract/Metrics
• 1363 PDF(827KB)

• Molecular Dynamics Simulation and Binding Free Energy Calculation of the Conformational Transition of Amyloid Peptide 42 Inhibited by Peptide Inhibitors
• DONG Xiao-Yan, DU Wen-Jie, LIU Fu-Feng
• The molecular mechanisms of the conformational transition of amyloid β-peptide (Aβ) 42 inhibited by the peptid...
• 2012, 28 (11): 2735 -2744 DOI: 10.3866/PKU.WHXB201207162

• 3084Abstract/Metrics
• 1872 PDF(1253KB)

PHYSICAL CHEMISTRY OF MATERIALS

• Preparation of Nitrogen-Doped Graphene and Its Supercapacitive Properties
• SU Peng, GUO Hui-Lin, PENG San, NING Sheng-Ke
• Nitrogen-doped graphene was synthesized by the hydrothermal method with graphene oxide (GO) as the raw material and urea...
• 2012, 28 (11): 2745 -2753 DOI: 10.3866/PKU.WHXB201208221

• 10202Abstract/Metrics
• 6048 PDF(2472KB)

• Synthesis and Microwave Absorption Properties of Nickel Nanoparticles-Graphene Composites with Different Morphologies
• LI Song-Mei, WANG Bo, LIU Jian-Hua, YU Mei, AN Jun-Wei
• Nickel nanoparticles-graphene (Ni-GNs) composites with two different morphologies were successfully synthesized by in si...
• 2012, 28 (11): 2754 -2760 DOI: 10.3866/PKU.WHXB201208292

• 3905Abstract/Metrics
• 2456 PDF(1201KB)

Retracted

• 【Retracted】Stability of Au Nanocrystals in 2D Superlattice
• ZHAI Wei, WANG Jian-yuan
• We synthesized 5.5 nm Au nanocrystals coated by dodecanethiol (C12SH26) by reverse micelle method. The Au nanocrystals a...
• 2012, 28 (11): 9999 -9999 DOI: 10.3866/PKU.WHXB201208172

• 2664Abstract/Metrics
• 1987 PDF(912KB)