Table of Contents

• Cover and Table of Contents for Vol.29 No. 7
• 2013, 29 (07): 0

• 590Abstract/Metrics
• 1400 PDF(4474KB)

COMMUNICATION

• Preparation, Characterization and Photocatalytic Activity of Cr-Doped Rutile TiO₂(110) Single Crystal Thin Films
• WANG Yang, SHAO Xiang, WANG Bing
• The growth of Cr-doped rutile TiO2(110) homoepitaxial single crystal thin films was investigated using pulsed laser depo...
• 2013, 29 (07): 1363 -1369 DOI: 10.3866/PKU.WHXB201305221

• 1933Abstract/Metrics
• 1990 PDF(2507KB)

REVIEW

• Research Progress in Atomic Resolution Microscopy
• YUAN Bing-Kai, CHEN Peng-Cheng, ZHANG Jun, CHENG Zhi-Hai, WANG Chen, QIU Xiao-Hui
• Tremendous progress has been made in non-contact atomic force microscopy (NC-AFM) recently. The spatial resolution of NC...
• 2013, 29 (07): 1370 -1384 DOI: 10.3866/PKU.WHXB201304191

• 2447Abstract/Metrics
• 4561 PDF(3793KB)

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

• Small-Scale Chemical Kinetic Mechanism Models for Pyrolysis of n-Decane
• YAO Tong, ZHONG Bei-Jing
• n-Decane is a component of commonly used fuels, but so far studies into its pyrolysis mechanism are rare and the few exi...
• 2013, 29 (07): 1385 -1395 DOI: 10.3866/PKU.WHXB201304123

• 1326Abstract/Metrics
• 1165 PDF(746KB)

• Emergent Paramagnetism in D- and L-Alanine Crystals: Spin-Orbital Separation in Quasi-One-Dimensional N⁺H…O^? Bonds
• WANG Wen-Qing, SHEN Xin-Chun ZHANG Yu-Feng GONG Yan
• We investigated the field-dependent magnetic properties of chiral alanine crystals, especially associated with the elect...
• 2013, 29 (07): 1396 -1400 DOI: 10.3866/PKU.WHXB201304163

• 1277Abstract/Metrics
• 867 PDF(842KB)

• Direct Evidence for the Energy of Weak Interactions between Surfactant Molecules Using High Sensitivity Isothermal Titration Calorimetry
• LOU Peng-Xiao, WANG Yu-Jie, BAI Guang-Yue, FAN Chao-Ying, Wang Yi-Lin
• Calorimetry is a direct experimental method that can be used to study the thermodynamics of weak interactions between su...
• 2013, 29 (07): 1401 -1407 DOI: 10.3866/PKU.WHXB201304282

• 1782Abstract/Metrics
• 1698 PDF(654KB)

• Heterobinuclear Zn-Eu or Zn-Tb Complexes Formed from Benzimidazole Derivatives and Metal Salts: Synthesis, Structures and Photophysical Properties
• ZHAO Shun-Sheng, ZHANG Zhao, SHI Guo-Xiang, FENG Wei-Xu, LÜ Xing-Qiang, LIU Xiang-Rong
• Four isostructural heterobinuclear Zn-Ln (Ln=Eu or Tb) complexes are prepared through the self-assembly of benzimidazole...
• 2013, 29 (07): 1408 -1414 DOI: 10.3866/PKU.WHXB201305081

• 1213Abstract/Metrics
• Supporting Info
• 1503 PDF(3000KB)

THEORETICAL AND COMPUTATIONAL CHEMISTRY

• Study on Mechanism of the Reduning Injection on the Influenza Virus Using Network Pharmacology Method
• ZHANG Xin-Zhuang, XIAO Wei, XU Xiao-Jie, WANG Zhen-Zhong, CAO Ling, SUN Lan
• The mechanisms of the Reduning injection on the influenza virus were studied by computer methods at the molecular level,...
• 2013, 29 (07): 1415 -1420 DOI: 10.3866/PKU.WHXB201304171

• 1325Abstract/Metrics
• Supporting Info
• 1581 PDF(1477KB)

• Radical Scavenging Activity of Myricetin
• XIE Hu-Jun, MOU Wang-Shu, LIN Fu-Rong, XU Jie-Hui, LEI Qun-Fang, FANG Wen-Jun
• Density functional theory (DFT) calculations have been performed to explore the molecular structure, electronic structur...
• 2013, 29 (07): 1421 -1432 DOI: 10.3866/PKU.WHXB201304222

• 1415Abstract/Metrics
• 1124 PDF(7180KB)

• Structural, Electronic and Magnetic Properties of Ti_nO₂ and Ti_nO₂^- (n=1-10) Clusters
• NIE Jing, LU Zhang-Hui, YAO Jun, GUI Tian, CHEN Xiang-Shu
• The structural, electronic, and magnetic properties of TinO2 and TinO2- (n=1-10) clusters are studied using density func...
• 2013, 29 (07): 1433 -1440 DOI: 10.3866/PKU.WHXB201304272

• 2377Abstract/Metrics
• Supporting Info
• 1937 PDF(7414KB)

• Geometric Structures, Excitation Energies and Dipole Moments of the Ground and Excited States of TiO₂
• WEI Mei-Ju, JIA De-Qiang, CHEN Fei-Wu
• The geometries of the ground and excited states of titanium dioxide, 1A1, 1B2, 3B2, 1B1, 3B1, 1A2 and 3A2, have been opt...
• 2013, 29 (07): 1441 -1452 DOI: 10.3866/PKU.WHXB201304221

• 1462Abstract/Metrics
• 1318 PDF(606KB)

• Photophysical Properties and Photoinduced Electron Transfer Mechanism in a Near-IR Fluorescent Probe for Monitoring Peroxynitrite
• ZHOU Dan-Hong, LI Miao-Miao, CUI Li-Li
• A heptamethine cyanine dye containing an organoselenium functional group is a near-IR fluorescent probe that operates ba...
• 2013, 29 (07): 1453 -1460 DOI: 10.3866/PKU.WHXB201304244

• 1979Abstract/Metrics
• 1831 PDF(1274KB)

• Oxygen-Reduction Reaction of Pyromellitimide-Bridged Polyphthalocyanine Fe(II)
• SUN Xiao-Ran, LI Guang-Yue, XIA Ding-Guo, ZHANG Li-Mei, LI Fan
• The activity of a pyromellitimide-bridged polyphthalocyanine Fe(II) catalyst for O2 reduction is studied by density func...
• 2013, 29 (07): 1461 -1466 DOI: 10.3866/PKU.WHXB201304081

• 1827Abstract/Metrics
• 968 PDF(851KB)

• Reaction Mechanism of Toluene Methylation with Dimethyl Carbonate or Methanol Catalyzed by H-ZSM-5
• LI Ling-Ling, Janik J. Michael, NIE Xiao-Wa, SONG Chun-Shan, GUO Xin-Wen
• Para-xylene is an important petrochemical that can be produced by the methylation of toluene. Here, the mechanism of tol...
• 2013, 29 (07): 1467 -1478 DOI: 10.3866/PKU.WHXB201304262

• 2961Abstract/Metrics
• 8163 PDF(4452KB)

ELECTROCHEMISTRY AND NEW ENERGY

• Electrochemical Preparation of Ni-Sn Active Cathode and Its Electrocatalytic Hydrogen Evolution Reaction Mechanisms in Alkaline Solution
• CAO Yin-Liang, LI Zhi-Lin, WANG Feng, LIU Jing-Jun, JI Jing, WANG Jian-Jun, ZHANG Liang-Hu, QIN Shi-Yong
• A simple galvanostatic electrodeposition method was used to synthesize an active Ni-Sn electrode on a Cu foil substrate....
• 2013, 29 (07): 1479 -1486 DOI: 10.3866/PKU.WHXB201305083

• 1721Abstract/Metrics
• 1246 PDF(1120KB)

• Nano-WO₃ Composite Materials as Electro-Catalyst for Methanol Oxidation
• ZHOU Yang, LIU Wei-Ming, HU Xian-Chao, CHU You-Qun, MA Chun-An
• Nano-WO3 modified carbon nanotube supported Pt nanoparticles (Pt/WO3-CNTs) with uniform dimension were prepared by impre...
• 2013, 29 (07): 1487 -1493 DOI: 10.3866/PKU.WHXB201304121

• 1581Abstract/Metrics
• 1131 PDF(1167KB)

• Synthesis and Electrochemical Performance of Microporous Carbon Using a Zinc(II)-Organic Coordination Polymer
• QIAN Jia-Sheng, LIU Ming-Xian, GAN Li-Hua, LÜ Yao-Kang, CHEN Ling-Yan, YE Rui-Jie, CHEN Long-Wu
• Microporous carbon was prepared using a novel procedure based on a zinc(II)-organic coordination polymer. The polymer wa...
• 2013, 29 (07): 1494 -1500 DOI: 10.3866/PKU.WHXB201304271

• 1799Abstract/Metrics
• 1332 PDF(771KB)

• Synthesis and Characterization of NiCo₂O₄ Nanoflower/Activated Carbon Fiber Composite and Its Supercapacitor Properties
• WU Hong-Ying, WANG Huan-Wen
• In the present work, NiCo2O4 nanowires grown directly on carbon fibers self-organize into a nanoflower morphology. The m...
• 2013, 29 (07): 1501 -1506 DOI: 10.3866/PKU.WHXB201304241

• 2538Abstract/Metrics
• 2199 PDF(1127KB)

• Synthesis and Electrochemical Properties of LiFe_1-xNb_xPO₄/C Composite Cathode Material by Two-Step Synthesis Route
• CAO Yan-Bing, LUO Liang, DU Ke, PENG Zhong-Dong, HU Guo-Rong, JIANG Feng
• LiFePO4/C composite was prepared by two-step synthesis route, with LiH2PO4 and FeC2O4· 2H2O as starting materials...
• 2013, 29 (07): 1507 -1514 DOI: 10.3866/PKU.WHXB201304231

• 1370Abstract/Metrics
• 1261 PDF(1170KB)

• Sulfonated Poly(aryl ether ketone) on Side Chain/Sulfonated Poly(vinyl alcohol) Composite Proton Exchange Membrane for Direct Methanol Fuel Cells
• CHENG Hai-Long, XU Jing-Mei, WANG Zhe, REN Chun-Li, BAI Hong-Wei, ZHAO Cheng-Ji, ZHANG Hui-Xuan
• Poly(aryl ether ketone)/sulfated poly(vinyl alcohol) (S-SPAEK/SPVA) composite membranes with different mass fractions of...
• 2013, 29 (07): 1515 -1523 DOI: 10.3866/PKU.WHXB201304261

• 1322Abstract/Metrics
• 1677 PDF(2442KB)

SOFT MATTER

• 2013, 29 (07): 1501 -1506 DOI: 10.3866/PKU.WHXB201304241

• 2538Abstract/Metric