Table of Contents

• Cover and Table of Contents for Vol.27 No. 7
• 2011, 27 (07): 0.

• 1418Abstract/Metrics
• 1562 PDF(3874KB)

REVIEW

• Chemical Lithiation and Electroactivity of Nanomaterials
• MAI Li-Qiang, YANG Shuang, HAN Chun-Hua, XU Lin, XU Xu, PI Yu-Qiang
• High capacity and good cycling stability of the electrode materials are the key points to develop high-performance lithi...
• 2011, 27 (07): 1551-1559. DOI: 10.3866/PKU.WHXB20110710

• 5492Abstract/Metrics
• 2634 PDF(1640KB)

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

• Influence of Methanol Addition on the Two Stage Combustion of a Dimethyl Ether/Air Mixture
• ZHANG Li-Zhi, YANG Hao-Lin, ZHAO Dai-Qing, JIANG Li-Qiao
• A numerical study was performed to determine the effects of methanol addition on the two stage oxidation of a dimethyl e...
• 2011, 27 (07): 1560-1566. DOI: 10.3866/PKU.WHXB20110629

• 3284Abstract/Metrics
• 1787 PDF(959KB)

• Influence of Ni Chemical States on the Partial Oxidation Mechanism of Methane: An Energetics Analysis
• XIA Wen-Sheng, CHANG Gang, HOU Yu-Hui, WENG Wei-Zheng, WAN Hui-Lin
• An energetics analysis of the possible elementary steps involved in the partial oxidation of methane (POM) over differen...
• 2011, 27 (07): 1567-1573. DOI: 10.3866/PKU.WHXB20110627

• 3457Abstract/Metrics
• 1447 PDF(511KB)

• Application and Improvement in the Ion Velocity Imaging of Threshold Photoelectron-Photoion Coincidence Measurements
• ZHEN Cheng, TANG Xiao-Feng, ZHOU Xiao-Guo, LIU Shi-Lin
• A series of electrodes were used to form a new accelerated electric field for ion focusing optics of a threshold photoel...
• 2011, 27 (07): 1574-1578. DOI: 10.3866/PKU.WHXB20110633

• 2779Abstract/Metrics
• 1430 PDF(732KB)

• Formation, Structure and Thermal Degradation of the Supramolecular Complex between β-Cyclodextrin and 18-Crown-6
• ZHU Lin-Hong, SONG Le-Xin, CHEN Jie, YANG Jing, WANG Mang
• The formation of a 1:1 supramolecular complex between β-cyclodextrin (β-CD) and 18- crown-6 (18C6) by simply m...
• 2011, 27 (07): 1579-1586. DOI: 10.3866/PKU.WHXB20110727

• 2880Abstract/Metrics
• Supporting Info
• 1494 PDF(863KB)

• Crystal Structure and Surface Photoelectric Property of Mn(II) Coordination Complexes
• JIN Jing, GONG Yuan-Yuan, WU Han-Qing, LI Lei, NIU Shu-Yun
• Three Mn(II) complexes [Mn(SO4)(H2O)3]n (1), [Mn2.5(HPO4)(PO4)(H2O)2]n (2), [Mn(phen)2(H2O)2]?(C4H4O4)?4H2O (3) (phen=1,...
• 2011, 27 (07): 1587-1594. DOI: 10.3866/PKU.WHXB20110705

• 4490Abstract/Metrics
• 1678 PDF(1120KB)

• Magnetostructural Correlation Study of a Novel Strong Antiferromagnetic Dimer Copper(II) Coordination Complex with Mono-Methyl Phthalate
• JIA Li-Hui, LIU An-Chang, MU Zong-E, CHEN Yun-Feng
• We prepared and obtained a novel dinuclear copper(II) coordination complex [Cu2(mMP)2(H2O)2]2·2H2O (1) using mono...
• 2011, 27 (07): 1595-1599. DOI: 10.3866/PKU.WHXB20110736

• 3375Abstract/Metrics
• 1783 PDF(581KB)

• SERS Spectroscopic Characterization and Analysis of the Molecular Structure of Linkage Monolayers in Assembled Gold Nanoparticle Films
• CAO Xiao-Wei, LIU Wen-Hua, LI Xin-Ran, WANG Rong, WU Xia-Qin
• Molecular assembly was used to prepare a 4,4′-dithiodipyridine (PySSPy) self-assembled monolayers (SAMs) modified ...
• 2011, 27 (07): 1600-1608. DOI: 10.3866/PKU.WHXB20110723

• 3905Abstract/Metrics
• 2160 PDF(895KB)

THEORETICAL AND COMPUTATIONAL CHEMISTRY

• Density Functional Theory Study on the Stability and Electronic Properties of MgF₂ Surfaces
• ZHANG Li-Li, HAN Pei-De, ZHANG Cai-Li, DONG Ming-Hui, YANG Yan-Qing, GU Xiang-Yang
• The structural stability and electronic properties of MgF2(010), MgF2(001), MgF2(011), and MgF2(110) surfaces were inves...
• 2011, 27 (07): 1609-1614. DOI: 10.3866/PKU.WHXB20110702

• 4021Abstract/Metrics
• 2045 PDF(668KB)

• Stability and Electronic Structures of Au-Doped Silicon Nanowires
• LIANG Wei-Hua, WANG Xiu-Li, DING Xue-Cheng, CHU Li-Zhi, DENG Ze-Chao, FU Guang-Sheng, WANG Ying-Long
• We calculated the formation energies, band structure, density of states, and magnetic properties of Au-doped hydrogen-pa...
• 2011, 27 (07): 1615-1620. DOI: 10.3866/PKU.WHXB20110729

• 2957Abstract/Metrics
• 2253 PDF(721KB)

• Electronic Structure, Mechanical Properties and Intrinsic Hardness of a New Superhard Material BeP₂N₄
• DING Ying-Chun, XIAO Bing
• First-principles calculations were carried out to investigate the crystal structures, band structure, density of states,...
• 2011, 27 (07): 1621-1632. DOI: 10.3866/PKU.WHXB20110730

• 3787Abstract/Metrics
• 2260 PDF(940KB)

• Theoretical Analysis of the ECD Spectra of SalenCo(III) Complexes Containing Axial Imidazole Ligands
• SU Xiao-Ling, WANG Yue-Kui, WANG Yan, JIA Jie, GAO Xiao-Li
• The geometries of the cobalt complexes [Co(MeO-salen)(Im)2]+, [Co(MeO-salen)(2-MeIm)2]+,and [Co(MeO-salen)(MeIm)2]+ (Im=...
• 2011, 27 (07): 1633-1639. DOI: 10.3866/PKU.WHXB20110707

• 3391Abstract/Metrics
• 1755 PDF(832KB)

• Local and Long-Range Hybrid Density Functional Study on an Organic Light-Emitting Molecule with Pull-Push Structure
• LIU Xiao-Jun, WANG Ning, CHENG Hao
• The absorption and fluorescence spectra of 3-(dicyanomethylene)-5,5-dimethyl-1-(4-[9- carbazol]-styryl)cyclohexene (DCDC...
• 2011, 27 (07): 1640-1646. DOI: 10.3866/PKU.WHXB20110718

• 3681Abstract/Metrics
• Supporting Info
• 1572 PDF(1020KB)

• Hydrogen Adsorption on Zeolite Na-MAZ and Li-MAZ Clusters
• LIANG Jian-Ming, ZHANG Ri-Guang, ZHAO Qiang, DONG Jin-Xiang, WANG Bao-Jun, LI Jin-Ping
• Hydrogen adsorption on zeolite Na-MAZ and Li-MAZ clusters was investigated using density functional theory (DFT) with th...
• 2011, 27 (07): 1647-1653. DOI: 10.3866/PKU.WHXB20110714

• 4734Abstract/Metrics
• 2124 PDF(823KB)

• A Novel Method of Nonlinear Rapid Feature Selection for High Dimensional Data and Its Application in Peptide QSAR Modeling Based on Support Vector Machine
• DAI Zhi-Jun, ZHOU Wei, YUAN Zhe-Ming
• Each amino acid residue of one peptide was characterized directly by 531 physicochemical property parameters. Based on s...
• 2011, 27 (07): 1654-1660. DOI: 10.3866/PKU.WHXB20110735

• 2978Abstract/Metrics
• 1639 PDF(635KB)

• Electronic Structures and Second-Order Nonlinear Optical Properties of a Series of Pt―Pt Bond-Containing Metal Complexes
• LIU Chun-Guang
• The electronic structures and second-order nonlinear optical (NLO) properties of a series of Pt―Pt bond-containing metal...
• 2011, 27 (07): 1661-1665. DOI: 10.3866/PKU.WHXB20110722

• 3448Abstract/Metrics
• 1231 PDF(770KB)

ELECTROCHEMISTRY AND NEW ENERGY

• Electrochemical Performance of Cr₂O₃/TiO₂ Composite Material for Lithium Ion Batteries
• ZHAO Xing, ZHUANG Quan-Chao, QIU Xiang-Yun, XU Shou-Dong, SHI Yue-Li, CUI Yong-Li
• The Cr2O3/TiO2 composite material was prepared by a high-temperature solid-state reaction and its structure, morphology,...
• 2011, 27 (07): 1666-1672. DOI: 10.3866/PKU.WHXB20110715

• 3573Abstract/Metrics
• 2417 PDF(855KB)

• Ce-Doped Mn₃O₄ and Its Electrochemical Capacitive Behavior
• ZHANG Zi-Yu, HU Zhong-Ai, YANG Yu-Ying, WANG Huan-Wen, CHANG Yan-Qin, CHEN Yan-Li, LEI Zi-Qiang
• Mn3O4 and Ce doped Mn3O4 were synthesized via a sol-gel route using metal nitrates as raw materials and citric acid as t...
• 2011, 27 (07): 1673-1678. DOI: 10.3866/PKU.WHXB20110709

• 3459Abstract/Metrics
• 2309 PDF(861KB)

• Preparation and Characterization of Peasecod-Based Activated Carbons as Electrode Materials for Electrochemical Double-Layer Capacitors
• CAO Guo-Fei, LIAO Yi, ZHANG Xiao-Hua, CHEN Jin-Hua
• Activated carbons for electrochemical double-layer capacitor electrodes were prepared from peasecod-based carbons using ...
• 2011, 27 (07): 1679-1684. DOI: 10.3866/PKU.WHXB20110623

• 3099Abstract/Metrics
• 1798 PDF(584KB)

• Catalytic Performance of Pt Nanowire Arrays for Oxygen Reduction
• ZHANG Min, LI Jing-Jian, PAN Mu, XU Dong-Sheng
• Platinum nanowire arrays (Pt NWs) catalyst was fabricated by electrodepositing with anodic aluminum oxide (AAO) as a tem...
• 2011, 27 (07): 1685-1688. DOI: 10.3866/PKU.WHXB20110726

• 3565Abstract/Metrics
• Supporting Info
• 1959 PDF(742KB)

• Performance Improvement of Polyethylene-Supported PAMS Electrolyte Using Urea as Foaming Agent
• CHEN Lang, RAO Mu-Min, LI Wei-Shan, XU Meng-Qing, LIAO You-Hao, TAN Chun-Lin, YI Jin
• Poly(acrylonitrile-methyl methacrylate-styrene) (PAMS) was synthesized by emulsion polymerization and a polyethylene (PE...
• 2011, 27 (07): 1689-1694. DOI: 10.3866/PKU.WHXB20110712

• 3863Abstract/Metrics
• 1859 PDF(702KB)

• Effects of Tetrahydrofuran Pretreatment on the Performance of Pyrrole Modified Li Metal Electrode
• WU Mei-Fen, WEN Zhao-Yin, LIU Yu
• To get rid of impurities on a Li surface and avoid hydrogen gas generation during the preparation of a lithium pyrrolide...
• 2011, 27 (07): 1695-1700. DOI: 10.3866/PKU.WHXB20110708

• 3560Abstract/Metrics
• 1668 PDF(754KB)

• DSSCs Using a Nanoparticle/Nanorod Composite TiO₂ Film as a Photoanode
• LIU Run-Hua, ZHANG Sen, XIA Xin-Yuan, YUN Da-Qin, BIAN Zu-Qiang, ZHAO Yong-Liang
• TiO2 anatase nanorods (ANR) were synthesized by a two-step hydrothermal method. The materials were characterized by X-ra...
• 2011, 27 (07): 1701-1706. DOI: 10.3866/PKU.WHXB20110734

• 3614Abstract/Metrics
• 2479 PDF(860KB)

• Synthesis and Cyclic Hydrogenation Properties of Magnesium Ultrafine Nanoparticles Prepared by Acetylene Plasma
• ZHANG Xuan-Zhou, YANG Jun-Zhi, SONG Ping, TIAN Wen-Huai, LI Xing-Guo
• Ultrafine Mg nanoparticles of around 40 nm in size were prepared by an acetylene plasma metal reaction, which is a revis...
• 2011, 27 (07): 1707-1711. DOI: 10.3866/PKU.WHXB20110622

• 3179Abstract/Metrics
• 1431 PDF(863KB)

SOFT MATTER

• pH Responsive Self-Assembly of HPAM-HEC in Aqueous Solution
• FANG Yun, LAI Zhong-Yu, PANG Ping-Ping, JIANG Ming
• A low-molecular-weight partially hydrolyzed polyacrylamide (HPAM) was synthesized because of its similar segment distrib...
• 2011, 27 (07): 1712-1718. DOI: 10.3866/PKU.WHXB20110703

• 3547Abstract/Metrics
• 1862 PDF(769KB)

• Synthesis of π-Conjugated Triphenylbenzene Derivatives and Their Gelling Property
• LUO Xu-Zhong, WANG Qiong, ZHONG Jin-Lian, PAN Hong, CHEN Zhi-Xing
• A series of discotic molecules containing triphenylbenzene group and three monochains were synthesized and their self-as...
• 2011, 27 (07): 1719-1724. DOI: 10.3866/PKU.WHXB20110720

• 3005Abstract/Metrics
• Supporting Info
• 1553 PDF(683KB)

CATALYSIS AND SURFACE SCIENCE

• Melting Point and Structure of Ionic Liquid [EMIM][PF₆] on the Surface of Nano-SiO_x Particles
• LIU Yu-Sheng, FU Hai-Ying, TANG Zhong-Feng, HUANG Wei, WU Guo-Zhong
• The 1-ethyl-3-methyl imidazolium hexafluorophosphate ionic liquid ([EMIM][PF6]) was absorbed onto the surfaces of severa...
• 2011, 27 (07): 1725-1729. DOI: 10.3866/PKU.WHXB20110731

• 3706Abstract/Metrics
• 1727 PDF(534KB)

• Catalytic Activities for the Complete Oxidation of Ethylene over Au-Cu/Co₃O₄ Catalysts
• XUE Wen-Juan, ZHANG Xin-Yan, LI Peng, LIU Zhao-Tie, HAO Zheng-Ping, MA Chun-Yan
• A series of Au-Cu/Co3O4 catalysts with different mass fractions of Cu were synthesized by a two-step method that consist...
• 2011, 27 (07): 1730-1736. DOI: 10.3866/PKU.WHXB20110719

• 4160Abstract/Metrics
• 3618 PDF(1059KB)

• Effect of Boron Promoter on the Structure and Hydrodesulfurization Activity of Ni₂P/SBA-15 Catalysts
• ZHAO Peng-Fei, JI Sheng-Fu, WEI Ni, MA Qian, LIU Hui, LI Cheng-Yue
• The catalyst precursors of B-Ni2P/SBA-15 were synthesized by co-impregnation using (NH4)2HPO4 as the source of phosphoru...
• 2011, 27 (07): 1737-1742. DOI: 10.3866/PKU.WHXB20110728

• 3125Abstract/Metrics
• 1522 PDF(2201KB)

• Fabrication of Mesoporous NiAl₂O₄ Nanorods and Their Catalytic Properties for Toluene Hydrocracking
• SHEN Shan-Shan, LU Wen-Cong, ZHANG Liang-Miao, YUE Bao-Hua, HAN Ling, ZHANG Hao
• Mesoporous single-crystalline NiAl2O4 nanorods were successfully synthesized by a one-step hydrothermal method using a p...
• 2011, 27 (07): 1743-1750. DOI: 10.3866/PKU.WHXB20110711

• 3242Abstract/Metrics
• 1590 PDF(909KB)

• Effects of Surface Areas and Adsorption Strength on the Photoactivity and Decomposition Kinetics of Acid Red 27 over TiO₂-Coated/Activated Carbon Composites
• LI You-Ji, CHEN Wei, LI Lei-Yong
• TiO2-coated/activated carbon composites (TCS) were prepared by supercritical pretreatment and sol-gel processing. The pr...
• 2011, 27 (07): 1751-1756. DOI: 10.3866/PKU.WHXB20110701

• 5481Abstract/Metrics
• 1911 PDF(1636KB)

• In situ Study of Self Assembly of Gold Nanoparticles and Cytochrome c by Polarized Optical Waveguide Spectroscopy
• ZHANG Rong-Jun, QI Zhi-Mei, ZHANG Zhe
• Time-resolved polarized optical waveguide spectroscopy is a powerful technique for the kinetic study of the adsorption o...
• 2011, 27 (07): 1757-1762. DOI: 10.3866/PKU.WHXB20110716

• 2888Abstract/Metrics
• 1697 PDF(702KB)

• Preparation, Characterization and Adsorption Mechanism for Phenols of CTMAB-ZrP
• YAO Wei, WANG Hong-Ning, WANG Jian-Wu, ZHONG Jing, CHEN Ruo-Yu
• Cetyltrimethyl ammonium bromid (CTMAB)-ZrP complexes that contained different amounts of CTMAB that intercalate into &al...
• 2011, 27 (07): 1763-1771. DOI: 10.3866/PKU.WHXB20110704

• 3908Abstract/Metrics
• 1637 PDF(836KB)

PHYSICAL CHEMISTRY OF MATERIALS

• Synthesis of Ordered Mesoporous Carbon Loaded Fe, Co, Ni Nanocrystals by the Soft Templating Route and Their Characterization
• LI Jian-Sheng, GU Juan, LING Xiao-Feng, SUN Xiu-Yun, SHEN Jin-You, HAN Wei-Qing, WANG Lian-Jun
• We report a one-step method for the synthesis of M(Fe, Co, Ni) nanocrystals supported by ordered mesoporous carbon (OMC)...
• 2011, 27 (07): 1772-1776. DOI: 10.3866/PKU.WHXB20110613

• 4534Abstract/Metrics
• 2878 PDF(904KB)

• Preparation and Characterization of a Polymeric Dielectric Film with a Low Surface Free Energy
• LIU Ying-Hui, KANG Zhi-Xin
• A polymeric nanofilm with a low surface free energy and high dielectric constant on the surface of a Mg-Mn-Ce magnesium ...
• 2011, 27 (07): 1777-1782. DOI: 10.3866/PKU.WHXB20110725

• 3088Abstract/Metrics
• 1787 PDF(660KB)