2013 Volume 29 Issue 7

Cover and Table of Contents for Vol.29 No. 7
2013, 29(07):
[Abstract](645) [FullText HTML] [PDF 4474KB](1017)
Abstract:
Preparation, Characterization and Photocatalytic Activity of Cr-Doped Rutile TiO2(110) Single Crystal Thin Films
WANG Yang , SHAO Xiang , WANG Bing
2013, 29(07): 1363-1369  doi: 10.3866/PKU.WHXB201305221
[Abstract](1253) [FullText HTML] [PDF 2507KB](1357)
Abstract:

The growth of Cr-doped rutile TiO2(110) homoepitaxial single crystal thin films was investigated using pulsed laser deposition (PLD) method. Surface morphology and electronic structure were characterized using scanning tunneling microscopy/spectrosco...

Research Progress in Atomic Resolution Microscopy
YUAN Bing-Kai , CHEN Peng-Cheng , ZHANG Jun , CHENG Zhi-Hai , WANG Chen , QIU Xiao-Hui
2013, 29(07): 1370-1384  doi: 10.3866/PKU.WHXB201304191
[Abstract](1910) [FullText HTML] [PDF 3793KB](1914)
Abstract:

Tremendous progress has been made in non-contact atomic force microscopy (NC-AFM) recently. The spatial resolution of NC-AFM imaging and spectroscopy of individual molecules on surfaces has reached true atomic resolution and bond differentiation leve...

Small-Scale Chemical Kinetic Mechanism Models for Pyrolysis of n-Decane
YAO Tong , ZHONG Bei-Jing
2013, 29(07): 1385-1395  doi: 10.3866/PKU.WHXB201304123
[Abstract](865) [FullText HTML] [PDF 746KB](631)
Abstract:

n-Decane is a component of commonly used fuels, but so far studies into its pyrolysis mechanism are rare and the few existing mechanisms are inconvenient to use owing to their large scales. A small-scale chemical kinetic model (Mech33) for describing...

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 , NG Yan
2013, 29(07): 1396-1400  doi: 10.3866/PKU.WHXB201304163
[Abstract](863) [FullText HTML] [PDF 842KB](533)
Abstract:

We investigated the field-dependent magnetic properties of chiral alanine crystals, especially associated with the electronic orbital motions. Based on the chirality of the zwitterionic model (+NH3-C(CH3)H-CO2-), and the helicity of the lattice struc...

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
2013, 29(07): 1401-1407  doi: 10.3866/PKU.WHXB201304282
[Abstract](1035) [FullText HTML] [PDF 654KB](885)
Abstract:

Calorimetry is a direct experimental method that can be used to study the thermodynamics of weak interactions between surfactant molecules, allowing the energetic parameters of such interactions to be obtained. In this work, a nano-isothermal titrati...

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
2013, 29(07): 1408-1414  doi: 10.3866/PKU.WHXB201305081
[Abstract](953) [FullText HTML] [PDF 3000KB](880)
Abstract:

Four isostructural heterobinuclear Zn-Ln (Ln=Eu or Tb) complexes are prepared through the self-assembly of benzimidazole derivatives 2-(2-hydroxy-3-methoxyphenyl)benzimidazole (HL1) or 2-(5-bromo-2-hydroxy-3-methoxyphenyl)benzimidazole (HL2) with Zn(...

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
2013, 29(07): 1415-1420  doi: 10.3866/PKU.WHXB201304171
[Abstract](1386) [FullText HTML] [PDF 1477KB](796)
Abstract:

The mechanisms of the Reduning injection on the influenza virus were studied by computer methods at the molecular level, including docking and network analysis. A neuraminidase (NA) activity assay was used to verify the predicted results in vitro. Re...

Radical Scavenging Activity of Myricetin
XIE Hu-Jun , MOU Wang-Shu , LIN Fu-Rong , XU Jie-Hui , LEI Qun-Fang
2013, 29(07): 1421-1432  doi: 10.3866/PKU.WHXB201304222
[Abstract](1490) [FullText HTML] [PDF 7180KB](698)
Abstract:

Density functional theory (DFT) calculations have been performed to explore the molecular structure, electronic structure, and O-H bond dissociation enthalpy of myricetin. Possible antioxidation mechanisms between lipid peroxide radical CH3OO· and my...

Structural, Electronic and Magnetic Properties of TinO2 and TinO2- (n=1-10) Clusters
NIE Jing , LU Zhang-Hui , YAO Jun , GUI Tian , CHEN Xiang-Shu
2013, 29(07): 1433-1440  doi: 10.3866/PKU.WHXB201304272
[Abstract](1432) [FullText HTML] [PDF 7414KB](1143)
Abstract:

The structural, electronic, and magnetic properties of TinO2 and TinO2- (n=1-10) clusters are studied using density functional theory with the B3LYP hybrid density functional. The calculated geometries show that the two dissociative oxygen atoms rema...

Geometric Structures, Excitation Energies and Dipole Moments of the Ground and Excited States of TiO2
WEI Mei-Ju , JIA De-Qiang , CHEN Fei-Wu
2013, 29(07): 1441-1452  doi: 10.3866/PKU.WHXB201304221
[Abstract](1051) [FullText HTML] [PDF 606KB](754)
Abstract:

The geometries of the ground and excited states of titanium dioxide, 1A1, 1B2, 3B2, 1B1, 3B1, 1A2 and 3A2, have been optimized using Møller-Plesset second-order perturbation theory, density functional theory B3LYP, and time-dependent density function...

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
2013, 29(07): 1453-1460  doi: 10.3866/PKU.WHXB201304244
[Abstract](1321) [FullText HTML] [PDF 1274KB](902)
Abstract:

A heptamethine cyanine dye containing an organoselenium functional group is a near-IR fluorescent probe that operates based on photoinduced electron transfer (PET). This probe can be used for highly sensitive and selective monitoring of peroxynitrite...

Oxygen-Reduction Reaction of Pyromellitimide-Bridged Polyphthalocyanine Fe(II)
SUN Xiao-Ran , LI Guang-Yue , XIA Ding-Guo , ZHANG Li-Mei , LI Fan
2013, 29(07): 1461-1466  doi: 10.3866/PKU.WHXB201304081
[Abstract](1024) [FullText HTML] [PDF 851KB](607)
Abstract:

The activity of a pyromellitimide-bridged polyphthalocyanine Fe(II) catalyst for O2 reduction is studied by density functional theory calculations. Three model molecules with different polymerization degrees are designed to investigate O2-reduction e...

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
2013, 29(07): 1467-1478  doi: 10.3866/PKU.WHXB201304262
[Abstract](2703) [FullText HTML] [PDF 4452KB](7310)
Abstract:

Para-xylene is an important petrochemical that can be produced by the methylation of toluene. Here, the mechanism of toluene methylation with dimethyl carbonate (DMC) or methanol catalyzed by H-ZSM-5 was studied using the“our own N-layered integrated...

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
2013, 29(07): 1479-1486  doi: 10.3866/PKU.WHXB201305083
[Abstract](1154) [FullText HTML] [PDF 1120KB](681)
Abstract:

A simple galvanostatic electrodeposition method was used to synthesize an active Ni-Sn electrode on a Cu foil substrate. Characterization by high-resolution transmission electron microscopy (HRTEM), energy-dispersive spectroscopy (EDS), and X-ray dif...

Nano-WO3 Composite Materials as Electro-Catalyst for Methanol Oxidation
ZHOU Yang , LIU Wei-Ming , HU Xian-Chao , CHU You-Qun , MA Chun-An
2013, 29(07): 1487-1493  doi: 10.3866/PKU.WHXB201304121
[Abstract](1197) [FullText HTML] [PDF 1167KB](631)
Abstract:

Nano-WO3 modified carbon nanotube supported Pt nanoparticles (Pt/WO3-CNTs) with uniform dimension were prepared by impregnated precipitation method, and Pt nanoparticles were loaded on the surface of WO3-CNTs by means of microwave-assisted glycol met...

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
2013, 29(07): 1494-1500  doi: 10.3866/PKU.WHXB201304271
[Abstract](1106) [FullText HTML] [PDF 771KB](732)
Abstract:

Microporous carbon was prepared using a novel procedure based on a zinc(II)-organic coordination polymer. The polymer was prepared through the coordination interaction of zinc ions with tartaric acid, and then it was introduced into the open networks...

Synthesis and Characterization of NiCo2O4 Nanoflower/Activated Carbon Fiber Composite and Its Supercapacitor Properties
WU Hong-Ying , WANG Huan-Wen
2013, 29(07): 1501-1506  doi: 10.3866/PKU.WHXB201304241
[Abstract](1558) [FullText HTML] [PDF 1127KB](1206)
Abstract:

In the present work, NiCo2O4 nanowires grown directly on carbon fibers self-organize into a nanoflower morphology. The materials are prepared by hydrothermal treatment and subsequent low-temperature annealing. Field emission scanning electron microsc...

Synthesis and Electrochemical Properties of LiFe1-xNbxPO4/C Composite Cathode Material by Two-Step Synthesis Route
CAO Yan-Bing , LUO Liang , DU Ke , PENG Zhong-Dong , HU Guo-Rong , JIANG Feng
2013, 29(07): 1507-1514  doi: 10.3866/PKU.WHXB201304231
[Abstract](913) [FullText HTML] [PDF 1170KB](636)
Abstract:

LiFePO4/C composite was prepared by two-step synthesis route, with LiH2PO4 and FeC2O4· 2H2O as starting materials. In the process, the carbon sources polyvinyl alcohol (PVA) and glucose were added in a stepwise fashion. The well-crystallized LiFePO4/...

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
2013, 29(07): 1515-1523  doi: 10.3866/PKU.WHXB201304261
[Abstract](863) [FullText HTML] [PDF 2442KB](799)
Abstract:

Poly(aryl ether ketone)/sulfated poly(vinyl alcohol) (S-SPAEK/SPVA) composite membranes with different mass fractions of SPVA were prepared by solution casting using highly sulfonated side-chaintype sulfonated poly(aryl ether ketone) and sulfated pol...

Polyethylene Glycol/Fe3O4 Nanoparticle Composite Materials: Structure, Physical Properties and Application
XIA Juan , SONG Le-Xin , DANG Zheng , SHAO Zhi-Cheng
2013, 29(07): 1524-1533  doi: 10.3866/PKU.WHXB201304273
[Abstract](1208) [FullText HTML] [PDF 1599KB](894)
Abstract:

Fe3O4 nanoparticles with a highly symmetric octadecahedral nanobox structure were fabricated using β-cyclodextrin as a protection agent. A series of composites (CM-1-CM-4) of polyethylene glycol (PEG) and Fe3O4 nanoparticles with different initial ma...

A Highly Viscoelastic Anionic Wormlike Micellar System
XIE Dan-Hua , ZHAO Jian-Xi , LIU Lin , YOU Yi , WEI Xi-Lian
2013, 29(07): 1534-1540  doi: 10.3866/PKU.WHXB201304252
[Abstract](958) [FullText HTML] [PDF 732KB](676)
Abstract:

The rheological behavior of carboxylate gemini surfactant O,O'-bis(sodium 2- tetradecylcarboxylate)-p-dibenzenediol (referred to as C14Φ2C14) with a concentration of 140 mmol·L-1 in aqueous solution in the presence of 100 mmol·L-1 NaBr was investigat...

Influence of Adsorption Mode on Metastable-Equilibrium Adsorption of As(V) on TiO2 Particles
LI Jing , ZHANG Mei-Yi , PAN Gang , CHEN Hao
2013, 29(07): 1541-1549  doi: 10.3866/PKU.WHXB201304242
[Abstract](789) [FullText HTML] [PDF 675KB](550)
Abstract:

Column and batch adsorptions of As(V) on TiO2 particles were conducted to investigate the influence of adsorption mode on metastable-equilibrium adsorption. Under the same thermodynamic conditions, a fixed amount of As(V) was added to both column and...

Properties and Roles of Adsorbed NH3 and NOx over Cu/SAPO-34 Zeolite Catalyst in NH3-SCR Process
SHI Lin , YU Tie , WANG Xin-Quan , WANG Jun , SHEN Mei-Qing
2013, 29(07): 1550-1557  doi: 10.3866/PKU.WHXB201304283
[Abstract](1199) [FullText HTML] [PDF 941KB](1020)
Abstract:

To investigate the adsorption properties and roles of different feed gases in the selective catalytic reduction by ammonia (NH3-SCR), the adsorption sites, strength, and amount as well as reaction rates of NH3 and NOx (a mixture of NO and NO2) on exc...

Investigation on Photocatalytic Reduction of CO2into CH4 Using SrB2O4/SrCO3Composite Catalyst
GUO Li-Mei , KUANG Yuan-Jiang , YANG Xiao-Dan , YU Yan-Long , YAO Jiang-Hong , CAO Ya-An
2013, 29(07): 1558-1565  doi: 10.3866/PKU.WHXB201304161
[Abstract](1109) [FullText HTML] [PDF 1111KB](838)
Abstract:

An SrB2O4/SrCO3composite catalyst is synthesized by the simple sol-gel method. Reduction of carbon dioxide into methane in the presence of water is used to evaluate the photocatalytic activity of the composite catalyst. SrB2O4/SrCO3exhibits better ph...

Roles of (001) and (101) Facets of Anatase TiO2 in Photocatalytic Reactions
WANG Xiang , LI Ren-Gui , XU Qian , HAN Hong-Xian , LI Can
2013, 29(07): 1566-1571  doi: 10.3866/PKU.WHXB201304284
[Abstract](1466) [FullText HTML] [PDF 1269KB](1527)
Abstract:

Single crystals of anatase TiO2 with exposed (001) and (101) facets were synthesized by a hydrothermal method. We carried out photocatalytic reduction reactions to deposit noble metals (Au, Ag, and Pt) and photocatalytic oxidation reactions to deposi...

Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by Cinchona-Modified Ir/SiO2
JIANG He-Yan , WU Zhi-Feng , CHEN Hua
2013, 29(07): 1572-1581  doi: 10.3866/PKU.WHXB201304243
[Abstract](908) [FullText HTML] [PDF 1000KB](628)
Abstract:

The asymmetric hydrogenation of aromatic ketones catalyzed by cinchona- and triphenylphosphine (tpp)-modified Ir/SiO2 was studied. The heterogeneous enantioselective hydrogenation of heterocyclic ketones using a supported iridium catalyst was also in...

Nanotribological and Wear Properties of Graphene
ZHU Qi-Rong , LI Hui-Qin , LI Ning , CHAI Jing , GAO Run-Gang , LIANG Qi
2013, 29(07): 1582-1587  doi: 10.3866/PKU.WHXB201305031
[Abstract](1470) [FullText HTML] [PDF 1745KB](1081)
Abstract:

We prepared few-layer graphene samples by liquid-phase exfoliation in ethanol. By controlling the solvent temperature, sonication time and power, and centrifugation speed and time, we fabricated several-layer graphene from highly oriented pyrolytic g...

Preparation of Freestanding Bilayer Lipid Membranes and the Effect of Temperature on Their Mechanical Properties
WANG Yang , YAN Jia-Wei , ZHU Zai-Wen , ZHAO Xue-Qin , ZHONG Yun-Xing , MAO Bing-Wei
2013, 29(07): 1588-1594  doi: 10.3866/PKU.WHXB201304233
[Abstract](820) [FullText HTML] [PDF 1466KB](564)
Abstract:

Nanoporous silicon nitride membranes are fabricated by combining polystyrene colloidal lithography with Micro-Electro-Mechanical Systems, and then freestanding bilayer lipid membranes are constructed across the nanopores by the vesicle method. The to...

Effective Adsorption of Functional Biological Macromolecules on Stainless Steel Surface with Micro/Nanoporous Texture
YU Zhan-Jiang , CHEN Yong-Qiang , YANG Xiao-Da
2013, 29(07): 1595-1602  doi: 10.3866/PKU.WHXB201305082
[Abstract](950) [FullText HTML] [PDF 2053KB](809)
Abstract:

Stainless steel (AISI 316L) is commonly used as a material in medical devices. Modification of the metal surface with bioactive molecules and/or nanoparticles to develop next-generation smart biomaterial, e.g., cardiovascular stents, has recently att...

An Electrostatic Force Microscopy Investigation of the Dynamic Properties of Microscopic Interface in Nanocomposites
PENG Jin-Ping , ZHANG Dong-Dong , GUAN Li , ZHANG Hui , ZHANG Zhong , QIU Xiao-Hui
2013, 29(07): 1603-1608  doi: 10.3866/PKU.WHXB201305091
[Abstract](1021) [FullText HTML] [PDF 3321KB](983)
Abstract:

The microscopic structure and properties of the interfacial regions in nanocomposites considerably affect the dielectric properties such as dielectric constant, dielectric loss, and breakdown strength. In this paper, we developed a method based on el...

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