Table of Contents

• Cover and Table of Contents for Vol.29 No. 8
• 2013, 29 (08): 0.

• 714Abstract/Metrics
• 2383 PDF(4164KB)

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

• Raman Spectra of Amino Wagging Vibrational Modes in p-π-Conjugated Molecules
• TAO Sha, YU Li-Juan, WU De-Yin, TIAN Zhong-Qun
• Raman spectroscopy has been widely used as a non-destructive testing and molecular recognition technology, providing fin...
• 2013, 29 (08): 1609-1617. DOI: 10.3866/PKU.WHXB201306032

• 2041Abstract/Metrics
• 1602 PDF(1025KB)

• Effect of the Ratio between Ionic Liquids [BMIM]Br and [BMIM][BF₄] on the Charge Transfer of Br^-
• MA Jing-Yuan, ZOU Yang, JIANG Zheng, HUANG Yu-Ying
• We analyzed the change of hydrogen bonding between Br- and imidazolium cations when the ionic liquid 1-butyl-3-methylimi...
• 2013, 29 (08): 1618-1622. DOI: 10.3866/PKU.WHXB201305272

• 2791Abstract/Metrics
• 2159 PDF(651KB)

• Method to Determine the Kinetic Parameters of the Autocatalytic Decomposition Reaction and Critical Rate of Temperature Rise of Thermal Explosion of Energetic Materials from DSC Curves
• HU Rong-Zu, ZHAO Feng-Qi, GAO Hong-Xu, YAO Er-Gang, ZHANG Hai, WANG Yao, Chang Xiang-Yu, ZHAO Hong-An
• To evaluate the thermal safety of energetic materials (EMs) using the critical rate of temperature rise of thermal explo...
• 2013, 29 (08): 1623-1631. DOI: 10.3866/PKU.WHXB201305282

• 1743Abstract/Metrics
• 1543 PDF(704KB)

• Application of Time-Resolved Coherent Anti-Stokes Raman Scattering Technique on the Study of Photocatalytic Hydrogen Production Kinetics
• LV Yong-Gang, LI Zhi-Jun, WU Li-Zhu, WANG Peng, FU Li-Min, ZHANG Jian-Ping
• Based on the laser pulse output from a femtosecond regenerative amplifier and optical parametric amplifier (OPA), a broa...
• 2013, 29 (08): 1632-1638. DOI: 10.3866/PKU.WHXB201304281

• 2243Abstract/Metrics
• 2129 PDF(694KB)

THEORETICAL AND COMPUTATIONAL CHEMISTRY

• Quantitative Structure-Activity Relationship Study of the Non-Nucleoside Inhibitors of HCV NS5B Polymerase by Machine Learning Methods
• CONG Yong, XUE Ying
• The quantitative structure-activity relationship (QSAR) approach was used to predict the activity of two different scaff...
• 2013, 29 (08): 1639-1647. DOI: 10.3866/PKU.WHXB201305171

• 1406Abstract/Metrics
• Supporting Info
• 1692 PDF(2404KB)

• Electronic Structure and Edge Modification of Armchair MoS₂ Nanoribbons
• YANG Zhi-Xiong, YANG Jin-Xin, LIU Qi, XIE Yu-Xing, XIONG Xiang, OUYANG Fang-Ping
• The geometries and electronic properties of armchair MoS2 nanoribbons were investigated by the first-principles method b...
• 2013, 29 (08): 1648-1654. DOI: 10.3866/PKU.WHXB201305211

• 2110Abstract/Metrics
• 3009 PDF(772KB)

• Effects of Orthogonal Electric Field on Water Flux through a Carbon Nanotube
• GE Zhen-Peng, SHI Yan-Chao, LI Xiao-Yi
• Water transport in nanopores is important for many biological processes and the design of nanodevices. It has been demon...
• 2013, 29 (08): 1655-1660. DOI: 10.3866/PKU.WHXB201305222

• 1740Abstract/Metrics
• 1323 PDF(815KB)

• Predicting Hypothetical Zeolite Frameworks Using Program FraGen
• LU Jun-Ran, LI Yi, YU Ji-Hong, LU Ying
• Zeolites are microporous materials that have been widely used in various chemical industries. Zeolite structure predicti...
• 2013, 29 (08): 1661-1665. DOI: 10.3866/PKU.WHXB201305273

• 1945Abstract/Metrics
• Supporting Info
• 1365 PDF(1238KB)

• Improvement of Surface Structure and Enhancement of Conductivity of LiFePO₄ Surface by Graphene and Graphene-Like B-C-N Coating
• SUN Chao, YAN Liu-Ming, YUE Bao-Hua
• Density functional theory calculations are used to investigate the surface structure and electric conductivity of the (0...
• 2013, 29 (08): 1666-1672. DOI: 10.3866/PKU.WHXB201304232

• 2048Abstract/Metrics
• 1642 PDF(1439KB)

• Spin-Orbit Coupling and Zero-Field Splitting in Dioxygen Activation by Non-Heme Iron(III)
• LV Ling-Ling, WANG Xiao-Fang, ZHU Yuan-Cheng, LIU Xin-Wen, YUAN Kun, WANG Yong-Cheng
• The mechanism of the O2 activation by the protocatechuate 3,4-dioxygenase was investigated using density functional calc...
• 2013, 29 (08): 1673-1680. DOI: 10.3866/PKU.WHXB201306041

• 1647Abstract/Metrics
• 1085 PDF(1200KB)

ELECTROCHEMISTRY AND NEW ENERGY

• Hydrothermal Synthesis of Partially Reduced Graphene Oxide-K₂Mn₄O₈ Nanocomposites as Supercapacitors
• LI Le, HE Yun-Qiu, CHU Xiao-Fei, LI Yi-Ming, SUN Fang-Fang, HUANG He-Zhou
• Nanocomposites of partially reduced graphene oxide (GO)-K2Mn4O8 were synthesized via a hydrothermal process at different...
• 2013, 29 (08): 1681-1690. DOI: 10.3866/PKU.WHXB201305223

• 3055Abstract/Metrics
• 2146 PDF(1104KB)

• Preparation and Electrochemical Capacitance Properties of Graphene Oxide/Polypyrrole Intercalation Composite
• SHI Qin, MEN Chun-Yan, LI Juan
• Graphene oxide/polypyrrole (GO/PPy) intercalation composite was successfully prepared via in-situ chemical oxidative pol...
• 2013, 29 (08): 1691-1697. DOI: 10.3866/PKU.WHXB201306031

• 2184Abstract/Metrics
• 2475 PDF(987KB)

• Electrochemistry of MgCl₂ in LiCl-KCl Eutectic Melts
• TANG Hao, YAN Yong-De, ZHANG Mi-Lin, XUE Yun, ZHANG Zhi-Jian, DU Wei-Chao, HE Hui
• The electrochemical behavior and thermodynamic properties of MgCl2 dissolved in LiCl-KCl eutectic melts in the temperatu...
• 2013, 29 (08): 1698-1704. DOI: 10.3866/PKU.WHXB201305102

• 1741Abstract/Metrics
• 1373 PDF(675KB)

• Electrochemical Behavior of the System of Uranium(VI) Extraction with CMPO-Ionic Liquid
• WU Jing-Ke, SHEN Xing-Hai, CHEN Qing-De
• The electrochemical behavior of U(VI) extracted from an aqueous solution of uranyl nitrate by octyl(phenyl)-N,N-diisobut...
• 2013, 29 (08): 1705-1711. DOI: 10.3866/PKU.WHXB201306043

• 1967Abstract/Metrics
• Supporting Info
• 1551 PDF(1480KB)

• Synthesis and Application of Ag-Cu Bimetallic Dendrites
• KANG Ya-Rong, CHEN Fu-Yi
• We synthesized silver-copper (Ag-Cu) dendritic structures on Cu foil by electrodeposition and subsequent galvanic displa...
• 2013, 29 (08): 1712-1718. DOI: 10.3866/PKU.WHXB201305132

• 1853Abstract/Metrics
• 2325 PDF(1179KB)

• Preparation and Properties of Direct-Methane Solid Oxide Fuel Cell Based on a Graded Cu-CeO₂-Ni-YSZ Composite Anode
• MENG Xiu-Xia, GONG Xun, YANG Nai-Tao, TAN Xiao-Yao, MA Zi-Feng
• A graded anode-supported solid oxide fuel cell (SOFC) with the structure porous Ni-yttria stabilized zirconia (Ni-YSZ)|m...
• 2013, 29 (08): 1719-1726. DOI: 10.3866/PKU.WHXB201305151

• 1629Abstract/Metrics
• 1165 PDF(11768KB)

• Comparison of Enzymatic Activities and Electroactivities of Adsorbed Glucose Oxidase on Several Nanomaterial-Modified Electrodes
• YANG Da-Wei, CHEN Chao, XIE Qing-Ji, YAO Shou-Zhuo
• The quartz-crystal microbalance technique was used to monitor the adsorption of glucose oxidase (GOx) on bare Au, Au-ele...
• 2013, 29 (08): 1727-1734. DOI: 10.3866/PKU.WHXB201306042

• 1548Abstract/Metrics
• 1569 PDF(1071KB)

• Spectrum Response Enhancement of Organic Solar Cell Using a Poly(3-hexylthiophene) Photosensitizing Layer
• WU Zhen-Wu, LIU Yang, WEI Shang-Jiang, HUANG Xun, ZHANG Dongyu, ZHOU Ming, CHEN Liwei, MA Chang-Qi, WANG Hua
• We report here the photovoltaic performance of a solar cell using poly-{[4,8-bis[(2-ethylhexyl) oxy]-benzo[1,2-b:4,5-b']...
• 2013, 29 (08): 1735-1744. DOI: 10.3866/PKU.WHXB201305241

• 1722Abstract/Metrics
• 1669 PDF(1464KB)

• Effects of Pt Content on the Catalytic Performance of Co@Pt/C Core-Shell Structured Electrocatalysts
• ZHAO Tian-Tian, LIN Rui, ZHANG Lu, CAO Chui-Hui, MA Jian-Xin
• Core-shell structured Co@Pt/C electrocatalysts containing different mass fractions of Co to Pt, which are represented as...
• 2013, 29 (08): 1745-1752. DOI: 10.3866/PKU.WHXB201305101

• 1660Abstract/Metrics
• 1386 PDF(1081KB)

• Electrochemical Behavior of Pyridine-Doped Carbon-Supported Co-Phthalocyanine (Py-CoPc/C) for Oxygen Reduction Reaction and Its Application to Fuel Cell
• DAI Xian-Feng, ZHEN Ming-Fu, XU Pan, SHI Jing-Jing, MA Cheng-Yu, QIAO Jin-Li
• Pyridine-doped, carbon-supported Co-phthalocyanine (Py-CoPc/C) nanoparticle catalysts were synthesized via a combined so...
• 2013, 29 (08): 1753-1761. DOI: 10.3866/PKU.WHXB201306141

• 1959Abstract/Metrics
• 1548 PDF(674KB)

SOFT MATTER

• Growth Modes of Condensates on Nanotextured Surfaces and Mechanism of Partially Wetted Droplet Formation
• LIU Tian-Qing, SUN Wei, LI Xiang-Qin, SUN Xiang-Yu, AI Hong-Ru
• The energy increasing rate (EIR) of a condensed droplet was analyzed during its growth in three different modes. The low...
• 2013, 29 (08): 1762-1770. DOI: 10.3866/PKU.WHXB201306033

• 2223Abstract/Metrics
• 1531 PDF(1107KB)

CATALYSIS AND SURFACE SCIENCE

• Controllable Synthesis and Photocatalytic Activity of Spherical, Flowerlike and Threadlike Bismuth Vanadates
• LIN Xue, YU Li-Li, Yan Li-Na, GUAN Qing-Feng, Yan Yong-Sheng, ZHAO Han
• Spherical, flowerlike, and threadlike bismuth vanadates (BiVO4) were synthesized via a controllable hydrothermal method ...
• 2013, 29 (08): 1771-1777. DOI: 10.3866/PKU.WHXB201305131

• 1951Abstract/Metrics
• 1511 PDF(868KB)

• Highly Active and Stable Catalyst for Visible Light Hydrogen Production Based on Oxidative Quenching of Eosin Y
• LI Bo, LÜ Gong Xuan
• The effects and mechanism of methyl viologen (MV2+) on photocatalytic hydrogen production over an active, stable catalys...
• 2013, 29 (08): 1778-1784. DOI: 10.3866/PKU.WHXB201305302

• 2580Abstract/Metrics
• 1291 PDF(693KB)

BIOPHYSICAL CHEMISTRY

• Acid-Induced Unfolding Process of Myoglobin and Its Mutant under Macromolecular Crowding Conditions
• ZHANG Yu-Jiao, TANG Qian, CAO Hong-Yu, ZHENG Xue-Fang
• In this paper, we studied the unfolding process of myoglobin (Mb) and its mutant Mb(D60K) induced by acid under macromol...
• 2013, 29 (08): 1785-1792. DOI: 10.3866/PKU.WHXB201305271

• 1133Abstract/Metrics
• Supporting Info
• 1220 PDF(2565KB)

• Multicomplex-Based Pharmacophore and QSAR of Aryl-Sulfamides as Pyruvate Kinase M2 Activators
• CHEN Zheng-Jun, JIANG Qing-Lin, HE Gu, HAN Bo, GUO Li
• Pyruvate kinase M2 (PKM2) is well-known as a potential target for cancer therapy. In this study, the multicomplex-based ...
• 2013, 29 (08): 1793-1803. DOI: 10.3866/PKU.WHXB201305152

• 1452Abstract/Metrics
• 1233 PDF(1503KB)

PHYSICAL CHEMISTRY OF MATERIALS

• Influence of KH on Reversible Dehydriding Performance of Na-Al-H Complex Hydride
• WANG Shun-Kui, LI Zhi-Jie, XIAO Xue-Zhang, FAN Xiu-Lin, CHEN Zhi-Wen, LI Shou-Quan, GE Hong-Wei, CHEN Li-Xin
• The Na-Al-H complex hydride was prepared by reactive ball milling (NaH/Al+CeCl3) and (NaH/Al+CeCl3/yKH) (y=0.02, 0.04) c...
• 2013, 29 (08): 1804-1808. DOI: 10.3866/PKU.WHXB201306061

• 1257Abstract/Metrics
• 1038 PDF(641KB)

• Synthesis of Plate Like Silicalite-1 with Controlled Thickness
• YAO Xiao-Qiang, XU Xiang-Yu, LÜ Zhi, JIAO Kun, SONG Jia-Qing, LI Zhao-Fei, WANG Qian, YAN Li-Jun, HE Ming-Yuan
• In this study, plate like Silicalite-1 samples with controlled thickness were synthesized using a SiO2-TPAOH-H2O-NH4F (T...
• 2013, 29 (08): 1809-1813. DOI: 10.3866/PKU.WHXB201305161

• 1705Abstract/Metrics
• 1379 PDF(1221KB)

• Effects of Derivatives of 3-Mercaptoisobutyric Acid on the Aqueous Synthesis of CdTe Quantum Dots
• MA Kai-Guo, FANG Tan, BAI Jin-Yi, GUO Hai-Qing
• Mercapto acids can affect the obtaining CdTe quantum dots (QDs) with narrow size distribution and high fluorescent quant...
• 2013, 29 (08): 1814-1818. DOI: 10.3866/PKU.WHXB201305301

• 1423Abstract/Metrics
• Supporting Info
• 1427 PDF(1401KB)

• Synthesis and Visible Light Photocatalytic Activities of Au/Cu₂O Heterogeneous Nanospheres
• SHANG Yang, CHEN Yang, SHI Zhan-Bin, ZHANG Dong-Feng, GUO Lin
• Au/Cu2O heterogeneous spheres (HGS) were prepared by in situ reduction of preadsorbed AuCl4- on the surface of Cu2O meso...
• 2013, 29 (08): 1819-1826. DOI: 10.3866/PKU.WHXB201305281

• 3100Abstract/Metrics
• Supporting Info
• 2168 PDF(3443KB)

• Preparation of Electrospun In₂O₃/CdO Composite and Its Formaldehyde-Sensing Properties
• CHEN Peng-Peng, WANG Jing, ZHANG Chun-Li, HAO Yu-Wen, DU Hai-Ying
• In(NO3)3/polyvinyl pyrrolidone (PVP) nanofiber precursors were synthesized using a traditional electrospinning method, a...
• 2013, 29 (08): 1827-1836. DOI: 10.3866/PKU.WHXB201306091

• 1488Abstract/Metrics
• 1541 PDF(1787KB)