2013 Volume 29 Issue 3

Cover and Table of Contents for Vol.29 No. 3
2013, 29(03):
[Abstract](691) [FullText HTML] [PDF 4946KB](893)
Abstract:
Research Progress on the Interactions between Polysaccharides and Surfactants
YUAN Zai-Wu , YUAN Jing , LÜ Xin , ZHANG Jian , XU Gui-Ying
2013, 29(03): 449-459  doi: 10.3866/PKU.WHXB201212283
[Abstract](1419) [FullText HTML] [PDF 858KB](1305)
Abstract:

Polysaccharides are naturally occurring, nontoxic, safe, and abundant. However, the properties and functions of polysaccharides can be improved by mixing them with surfactants because of synergistic effects between them. The association of surfactant...

Increased Water Solubility of Molybdenum Trioxide Induced by β-Cyclodextrin
SHAO Zhi-Cheng , SONG Le-Xin , TENG Yue , DANG Zheng , XIA Juan
2013, 29(03): 460-466  doi: 10.3866/PKU.WHXB201301071
[Abstract](840) [FullText HTML] [PDF 774KB](876)
Abstract:

Increased water solubility of molybdenum trioxide (MoO3) induced by β-cyclodextrin (CD), with solubility dependent on β-CD concentration is reported. The dynamic equilibrium established between MoO3 precipitation and dissolution shifted towards disso...

Solution Heat of Potassium Styphnate and Caesium Styphnate in Water and DMF at 298.15 K
LIU Ying , TONG Wen-Chao , YANG Li , ZHANG Tong-Lai , FENG Chang-Gen
2013, 29(03): 467-472  doi: 10.3866/PKU.WHXB201212202
[Abstract](1054) [FullText HTML] [PDF 1225KB](611)
Abstract:

The dissolution and thermochemical properties of potassium styphnate [K2(TNR)(H2O)]n and cesium styphnate [Cs2(TNR)(H2O)2]n in water and N,N-dimethylformamide (DMF) at 298.15 K were studied by calorimetry. The processes are endothermic in water, and ...

Experimental Test of“Parity-Time Asymmetry”in Electron Spin-Flip Raman Scattering of the N+H…O Hydrogen Bond in Chiral Alanine Crystals
WANG Wen-Qing , NG Yan , SHEN Xin-Chun , ZHANG Yu-Feng
2013, 29(03): 473-478  doi: 10.3866/PKU.WHXB201212273
[Abstract](1476) [FullText HTML] [PDF 2127KB](698)
Abstract:

Spontaneous symmetry breaking of the N+H…O bond in chiral alanine crystals around 270 K was detected in situ by Raman vibrational scattering with b(cc)b geometry. An electron spin-flip transition of the N+H…O mode in D-/L-alanine was observed by the ...

Identification and Thermokinetics of Autocatalytic Exothermic Decomposition of 2,4-Dinitrotoluene
BAO Shi-Long , CHEN Wang-Hua , CHEN Li-Ping , GAO Hai-Su , LÜ Jia-Yu
2013, 29(03): 479-485  doi: 10.3866/PKU.WHXB201212141
[Abstract](998) [FullText HTML] [PDF 1396KB](1129)
Abstract:

The thermal stability and autocatalytic decomposition of 2,4-dinitrotoluene (2,4-DNT) is investigated under dynamic and isothermal conditions using differential scanning calorimetry (DSC). The temperature range of initial exothermic temperature (T0) ...

Size Effect on the Signal Intensity Difference between Odd- and Even-Numbered Phosphorus Cluster Ions
KONG Xiang-Lei
2013, 29(03): 486-490  doi: 10.3866/PKU.WHXB201212121
[Abstract](995) [FullText HTML] [PDF 1571KB](621)
Abstract:

Intensity difference between odd- and even-numbered cluster ions is one of the characteristics of phosphorus clusters. Generally, for the clusters with cluster ion size n>25, intensities of odd-numbered cluster ions are much higher than those of thei...

Influence of Interlayer Anion on Supermolecular Interaction in Quaternary Hydrotalcites
HU Jun , SHI Wei , NI Zhe-Ming , LIU Jiao , XUE Ji-Long
2013, 29(03): 491-497  doi: 10.3866/PKU.WHXB201301072
[Abstract](1004) [FullText HTML] [PDF 1750KB](762)
Abstract:

A periodic interaction model with different intercalated anions (X=F?, Cl?, Br?, I?, NO3?, OH?) is proposed for the CuZnMgAl quaternary hydrotalcites (CuZnMgAl-X). Based on density functional theory, the CuZnMgAl-X geometry was optimized using the CA...

Feature Selection for High-Dimensional Data Based on Ridge Regression and SVM and Its Application in Peptide QSAR Modeling
WANG Zhi-Ming , HAN Na , YUAN Zhe-Ming , WU Zhao-Hua
2013, 29(03): 498-507  doi: 10.3866/PKU.WHXB201301042
[Abstract](1216) [FullText HTML] [PDF 1366KB](745)
Abstract:

Absolute weight values estimated from test data by ridge regression (RR) can reflect the significance of corresponding features. Based on RR and support vector machine (SVM), a new feature selection al rithm for high-dimensional data is proposed. Exa...

Molecular Acidity of Singly and Doubly Substituted Phenols: Predictions from Density Functional Reactivity Theory and Hammett Constants
LIU Liang-Hong , ZHANG Peng-Fei , HUANG Ying
2013, 29(03): 508-515  doi: 10.3866/PKU.WHXB201212071
[Abstract](1074) [FullText HTML] [PDF 1072KB](749)
Abstract:

Accurate prediction of molecular acidity with ab initio and density functional theory approaches is of great interest, but remains a challenging task. Density functional reactivity theory (DFRT) with quantum descriptors, such as molecular electrostat...

Influences of Polymerization Time on Structure and Properties of Polyaniline Counter Electrodes in Dye-Sensitized Solar Cells
WANG Sha-Sha , LU Shan , SU Jia , GUO Zheng-Kai , LI Xue-Min , ZHANG Xue-Hua , HE Sheng-Tai , HE Tao
2013, 29(03): 516-524  doi: 10.3866/PKU.WHXB201301092
[Abstract](1341) [FullText HTML] [PDF 1443KB](1045)
Abstract:

SO42? doped polyaniline (PANI) counter electrodes (CEs) on fluorine-doped tin oxide (FTO) glass substrates were fabricated, using electrochemical method under constant bias for different polymerization time. The effect of polymerization time on surfa...

Application of Ionic Liquids with Carboxyl and Aromatic Ring Conjugated Anions in Dye-Sensitized Solar Cells
WANG Hai , XU Xue-Qing , SHI Ji-Fu , XU Gang
2013, 29(03): 525-532  doi: 10.3866/PKU.WHXB201301091
[Abstract](873) [FullText HTML] [PDF 1530KB](936)
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A method of utilizing p-π conjugation effects for obtaining low-viscosity ionic liquids is presented. p-π conjugation effectively disperses anionic charge and reduces Coulombic interactions. Ionic liquids prepared in this study were 1-ethyl-3-methyli...

Application of Cu2S Counter Electrode in Quantum Dot-Sensitized Solar Cells
ZHU Jun , YU Xue-Chao , WANG Shi-Mao , DONG Wei-Wei , HU Lin-Hua , FANG Xiao-Dong , DAI Song-Yuan
2013, 29(03): 533-538  doi: 10.3866/PKU.WHXB201212124
[Abstract](1551) [FullText HTML] [PDF 9317KB](1120)
Abstract:

Cu2S counter electrodes were prepared from the metal chalcogenide complex precursor using a novel method. A porous TiO2 nanoparticle film and TiO2 nanorod array photoanode were also fabricated. The corresponding CdS/CdSe-sensitized solar cells with t...

Effect of pH Values on Performance of Trollius Chinensis Pigment Sensitized Solar Cells
YANG Gui-Jun , WANG Shen-Rui , ZHANG Yong-Chang , WANG Gang , CHEN Hui-Yuan , NAN Hui , LIN Hong ,
2013, 29(03): 539-545  doi: 10.3866/PKU.WHXB201212254
[Abstract](1119) [FullText HTML] [PDF 826KB](718)
Abstract:

Trollius chinensis pigment was extracted, and ultraviolet-visible (UV-Vis) absorption and Fourier transform infrared (FTIR) spectroscopy confirmed that anthocyanin compounds were the main components. Dye sensitized solar cells (DSCs) were sensitized ...

Preparation and Electrochemical Performance of Carbon Nanotubes/ Graphene Oxide/Sulfur Complex Cathode Material
XU Gui-Yin , DING Bing , NIE Ping , LUO Hong-Jun , ZHANG Xiao-Gang
2013, 29(03): 546-552  doi: 10.3866/PKU.WHXB201301081
[Abstract](2660) [FullText HTML] [PDF 10803KB](6775)
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Three-dimensional (3D) hierarchical CNTs/ /S ternary composites were prepared by solution-based reaction-deposition, using graphene oxide ( ) and carbon nanotubes (CNTs) as precursors. Scanning electron microscopy (SEM) and transmission electron micr...

Electrooxidation Reaction of 3-Bromobenzoic Acid on Pt Electrode
YE Yong-Wei , WANG Xi , ZHENG Wan-Fang , LI Mei-Chao , MA Chun-An
2013, 29(03): 553-558  doi: 10.3866/PKU.WHXB201301101
[Abstract](957) [FullText HTML] [PDF 883KB](602)
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Electrochemical oxidation of 3-bromobenzoic acid (3-BBA) on a Pt electrode in alkali solution was studied by cyclic voltammetry and in situ Fourier transform infrared (FTIR) spectroscopy. The Pt electrode exhibited od performance for the electrooxid...

Micro-Modelling of PEMFC Taking Account of Gaseous and Liquid Water inside the Catalyst Layer
CHEN Qiu-Xiang , ZHANG Jie-Jing , WANG Yu-Xin
2013, 29(03): 559-568  doi: 10.3866/PKU.WHXB201301082
[Abstract](900) [FullText HTML] [PDF 6142KB](641)
Abstract:

The performance of proton exchange membrane fuel cell (PEMFC) was simulated with a microstructure lattice model of the catalyst layer, including the effect of liquid and gaseous water. Comparisons of simulations where liquid water was and was not fac...

Adsorption Behavior of Cationic and Zwitterionic Surfactants on Poly(methyl methacrylate)
LIU Dan-Dan , XU Zhi-Cheng , ZHAO Qun , ZHANG Lei , ZHANG Lu , ZHAO Sui
2013, 29(03): 569-575  doi: 10.3866/PKU.WHXB201212284
[Abstract](1997) [FullText HTML] [PDF 688KB](911)
Abstract:

The wetting behavior of poly(methyl methacrylate) (PMMA) surfaces by aqueous solutions of cationic surfactants, hexadecanol glycidyl ether ammonium chloride (C16PC), hexadecanol polyoxyethylene (3) glycidyl ether ammonium chloride (C16(EO)3PC), and z...

Reflux Preparation and Photocatalytic Performance of Bismuth Phosphate Nanorods
ZHU Yan-Yan , LIU Yan-Fang , LÜ Yan-Hui , WANG Hua , LING Qiang , ZHU Yong-Fa
2013, 29(03): 576-584  doi: 10.3866/PKU.WHXB201301043
[Abstract](2475) [FullText HTML] [PDF 20857KB](8640)
Abstract:

BiPO4 nanorods were synthesized by reflux, and the effect of reaction time, reactant ratio and concentration, and pH value on BiPO4 crystal structure and morphology was investigated. Nanorods were characterized by X-ray diffraction (XRD), transmissio...

Fabrication and Visible-Light Photocatalytic Activity of In situ Carbon and Nitrogen Co-Doped TiO2 Hollow Sphere
LIU Su-Qin , DAI Gao-Peng , LIANG Ying , LIU Hua-Jun , LIANG Gui-Jie
2013, 29(03): 585-589  doi: 10.3866/PKU.WHXB201212253
[Abstract](1190) [FullText HTML] [PDF 5338KB](915)
Abstract:

Carbon and nitrogen co-doped TiO2 hollow spheres (CNTHs) were synthesized by hydrothermal treatment of titanium carbonitride (TiCN) in a mixture of H2O2, HF, ethanol, and water. CNTHs were characterized by X-ray diffraction (XRD), scanning electron m...

Synthesis of Magnetically Graphitic Mesoporous Carbon from Hard Templates and Its Application in the Adsorption Treatment of Traditional Chinese Medicine Wastewater
HONG Zhou-Qin , LI Jin-Xia , ZHANG Fang , ZHOU Li-Hui
2013, 29(03): 590-596  doi: 10.3866/PKU.WHXB201212123
[Abstract](933) [FullText HTML] [PDF 4800KB](1087)
Abstract:

Magnetically graphitic mesoporous carbon (Fe/GMC) was synthesized, using SBA-15 as a template and sucrose as a carbon source, with the assistance of ferric nitrate impregnation. The properties of the products were characterized using powder X-ray dif...

Preparation of Morphology-Tuned γ-MnO2 and Catalytic Performance for the Liquid-Phase Oxidation of Toluene
LIN Jian , CAI Fan , ZHANG Guo-Yu , YANG Le-Fu , YANG Jin-Yu , FANG Wei-Ping
2013, 29(03): 597-604  doi: 10.3866/PKU.WHXB201301041
[Abstract](879) [FullText HTML] [PDF 1905KB](857)
Abstract:

Introducing surfactants including hexadecyltrimethylammonium bromide (CTAB), macro l 6000 (PEG6000), and poly(ethylene glycol)-block-poly(propylene glycol)-block-poly(ethylene glycol) triblock copolymer (P123) into the refluxing aqueous crystal nucle...

NOx Storage Performance of Alkaline Earth-Doped Perovskite-Type BaFeO3 Catalysts
LI Feng-Li , GUO Li , XIAN Hui , MENG Ming , LI Zhi-Jun , BAO Jun , LI Xin-Gang
2013, 29(03): 605-611  doi: 10.3866/PKU.WHXB201212241
[Abstract](1345) [FullText HTML] [PDF 3954KB](687)
Abstract:

A series of Ba1-xMxFeO3 (M=Mg, Ca, Sr; x=0, 0.1, 0.2) perovskites were prepared by the sol-gel method as NOx storage reduction (NSR) catalysts. The effect of doping with alkaline earth metals (Mg, Ca, and Sr) on the NOx storage and oxidation performa...

Rapid Transfer of Au Nanoparticle Pattern onto ITO Substrate Using Microcontact Printing Technique
TANG Jing , PANG Wen-Hui , Ren He , CHEN Qiao-Lan , SONG Zi-Wang , LIN Jian-Hang
2013, 29(03): 612-618  doi: 10.3866/PKU.WHXB201212281
[Abstract](1250) [FullText HTML] [PDF 4079KB](1337)
Abstract:

A poly(dimethylsiloxane) (PDMS) stamp was electrolessly plated using a cyanide-free solution. ld nanoparticles (AuNPs) were transferred from the PDMS stamp to indium tin oxide (ITO), (3- mercaptopropyl) trimethoxysilane modified ITO (MPTMS/ITO), and...

Study of γ Radiation-Induced Colored Products on [Cnmim][NTf2] Ionic Liquids
CUI Zhen-Peng , WANG Shuo-Jue , AO Yin-Yong , PENG Jing , LI Jiu-Qiang , ZHAI Mao-Lin
2013, 29(03): 619-624  doi: 10.3866/PKU.WHXB201212102
[Abstract](1733) [FullText HTML] [PDF 731KB](845)
Abstract:

Ionic liquids 1-alkyl-3-methylbis(trifluoromethylsulfonyl)imide ([Cnmim][NTf2]) are promising separating reagents in the nuclear fuel cycle. Their chemical structure changes slightly when exposed to γ radiation, but the apparent darkening of [Cnmim][...

Diagnosis of Emission Spectra on Chemical Vapor Deposition of TiO2 System with Atmospheric-Pressure Radio Frequency Plasma
CHANG Da-Lei , LI Xiao-Song , ZHAO Tian-Liang , ZHU Ai-Min
2013, 29(03): 625-630  doi: 10.3866/PKU.WHXB201212271
[Abstract](755) [FullText HTML] [PDF 1684KB](618)
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Diagnosis of emission spectroscopy on chemical vapor deposition (PCVD) of TiO2 with atmospheric-pressure radio frequency (RF) plasma was studied. The dependences of relative intensity of atomic oxygen line, Ar excitation temperature, OH rotational an...

Effect of Substrate Temperature on the Growth and Microstructure of ZnO Film
LIU Yong-Li , LIU Huan , LI Wei , ZHAO Qian , QI Yang
2013, 29(03): 631-638  doi: 10.3866/PKU.WHXB201212122
[Abstract](1138) [FullText HTML] [PDF 5377KB](937)
Abstract:

Understanding the effect of temperature on the orientation, microstructure, integrity, and growth mechanism of ZnO films on the atomic scale is needed to clarify the process of film growth, control deposition conditions, and improve film quality. Usi...

Synthesis and Optical Properties of Organic-Inorganic Hybrid Mesoporous Materials with Naphthalene Bridging Groups
CUI Xiao-Yan , HAN Shu-Hua , SUN Yuan-Yuan , WANG Sha-Sha , QIU Xiao-Yong , GAO Meng
2013, 29(03): 639-645  doi: 10.3866/PKU.WHXB201212201
[Abstract](2086) [FullText HTML] [PDF 1501KB](722)
Abstract:

Ordered naphthalene-bridged hybrid periodic mesoporous organosilicas (PMOs) were synthesized by co-condensation of 2,7-bis(3-triethoxysilylpropylaminocarbonyloxy) naphthalene (NIS) and tetraethoxy orthosilane (TEOS) using cationic trimeric surfactant...

Macroporous SiO2 Monoliths Prepared via Sol-Gel Process Accompanied by Phase Separation
GUO Xing-Zhong , LI Wen-Yan , ZHU Yang , NAKANISHI Kazuki , KANAMORI Kazuyoshi , YANG Hui
2013, 29(03): 646-652  doi: 10.3866/PKU.WHXB201212252
[Abstract](1157) [FullText HTML] [PDF 1409KB](840)
Abstract:

Macroporous SiO2 monoliths were prepared via a sol-gel process accompanied by phase separation using a tetramethoxysilane (TMOS) precursor, 0.01 mol·L-1 HCl catalyst, propylene oxide (PO) gelation agent, and poly(ethylene oxide) (PEO, viscosity-avera...

Preparation and Fluorescence Properties of Aqueous Soluble Thiourea Modified ZnSe:Cu Quantum Dots
TANG Zi-Long , LI Dong-Mei , CHENG Jing-Wei , JIANG Jie-Ru
2013, 29(03): 653-659  doi: 10.3866/PKU.WHXB201212272
[Abstract](989) [FullText HTML] [PDF 7020KB](826)
Abstract:

Aqueous phase Cu doped ZnSe (ZnSe:Cu) quantum dots (QDs) stabilized with mercaptopropionic acid were prepared, and thiourea was used as a surface modifier to obtain core-shell ZnSe:Cu/ZnS QDs. QDs had a sphalerite structure, were uniformly dispersed,...

Preparation, Characterization and Properties of Titania/Graphite Oxide Nanocomposite
PAN Hui , ZHAO Tian , ZHANG Yu-Dong , ZHANG Zhi-Jun
2013, 29(03): 660-666  doi: 10.3866/PKU.WHXB201212282
[Abstract](1190) [FullText HTML] [PDF 2578KB](1072)
Abstract:

Titania/graphite oxide (TiO2/ ) nanocomposites were obtained from a facile in-situ method using titanium tetrachloride (TiCl4) and . Nanocomposite structures and properties were characterized by Fourier transform infrared (FTIR) spectroscopy, X-ray ...

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