Table of Contents

• Table of Contents for Vol.25 No.2
• 2009, 25 (02): 0.

• 2030Abstract/Metrics
• 1659 PDF(1668KB)

ARTICLE

• Effect of Fluoroethylene Carbonate Additive on the Performance of Lithium Ion Battery
• XU Jie; YAO Wan-Hao; YAO Yi-Wen; WANG Zhou-Cheng; YANG Yong
• Fluoroethylene carbonate (FEC) with a volume ratio of 2%was added to the electrolyte containing 1 mol·L-1 LiPF6 in ethyl...
• 2009, 25 (02): 201-206. DOI: 10.3866/PKU.WHXB20090201

• 7993Abstract/Metrics
• 3313 PDF(1661KB)

• A Brownian Dynamics Simulation to Study the Influence of Gravity on the Process of Particle Coagulation in Suspension
• LI Xu; XU Sheng-Hua; SUN Zhi-Wei
• The Brownian dynamics method was used to simulate the influence of gravity on the process of particle coagulation in a d...
• 2009, 25 (02): 207-212. DOI: 10.3866/PKU.WHXB20090202

• 4285Abstract/Metrics
• 1656 PDF(213KB)

• Stability of Pd-Fe Alloy Catalysts
• KE Xi; CUI Guo-Feng; SHEN Pei-Kang
• The stability of Pd-Fe alloy catalysts for the oxygen reduction reaction (ORR) was characterized in situ by using the ro...
• 2009, 25 (02): 213-217. DOI: 10.3866/PKU.WHXB20090203

• 6019Abstract/Metrics
• 2323 PDF(325KB)

• Adsorption of Thiophene and the Mixture of Thiophene and Iso-octane on MCM-22 Zeolite by Monte Carlo Simulation
• ZHANG Guo; BAI Fu-Quan; ZHOU Xin; LIU Tao; PAN Qing-Jiang; FU Hong-Gang; ZHANG Hong-Xing
• A grand canonical ensemble Monte Carlo simulation was performed to investigate the adsorption and distribution of thioph...
• 2009, 25 (02): 218-222. DOI: 10.3866/PKU.WHXB20090204

• 4529Abstract/Metrics
• 2030 PDF(666KB)

• Molecular Dynamics Simulation on Structure, Hydrogen-Bond and Hydration Properties of Diflunisal Intercalated Layered Double Hydroxides
• PAN Guo-Xiang; NI Zhe-Ming; WANG Fang; WANG Jian-Guo; LI Xiao-Nian
• The supramolecular structure of diflunisal intercalated layered double hydroxides (DIF/LDHs) was modeled bymolecular dyn...
• 2009, 25 (02): 223-228. DOI: 10.3866/PKU.WHXB20090205

• 5537Abstract/Metrics
• 2352 PDF(1480KB)

• Electrochemical Properties of Manganese Oxide Surface-Modified Activated Carbon Electrode Materials
• GAO Qiang; LIU Ya-Fei; HU Zhong-Hua; ZHENG Xiang-Wei; WEN Zu-Biao
• To improve electrochemical properties of activated carbon (AC), a commercial AC was modified by means of soaking in mang...
• 2009, 25 (02): 229-236. DOI: 10.3866/PKU.WHXB20090206

• 4791Abstract/Metrics
• 1996 PDF(700KB)

• Synthesis of AlH₃ by a Ball-Milling Solid-Phase Chemical Reaction and Its Hydrogen Desorption Properties
• LUO Yong-Chun; MAO Song-Ke; YAN Ru-Xu; KONG Ling-Bin; KANG Long
• The synthesis of AlH3with LiAlH4 and AlCl3was done by ball-milling solid phase chemical reaction under H2 atmosphere. Th...
• 2009, 25 (02): 237-241. DOI: 10.3866/PKU.WHXB20090207

• 4168Abstract/Metrics
• 2145 PDF(795KB)

• Vapour Phase ortho-Selective Alkylation of Phenol with Methanol over Fe-Zr Oxide Catalysts
• XU Lei; WU Shu-Jie; ZHANG Wen-Xiang; JIA Ming-Jun; LIU Gang
• Fe-Zr oxides with different Zr/Fe molar ratios were prepared by a co-precipitation method and used as catalysts for the ...
• 2009, 25 (02): 242-246. DOI: 10.3866/PKU.WHXB20090208

• 6168Abstract/Metrics
• 1789 PDF(214KB)

• Microstructure and Electrochemical Properties of V_2.1TiNi_0.4Zr_0.06Cu_0.03M_0.10 (M=Cr, Co, Fe, Nb, Ta) Hydrogen Storage Alloys
• JIA Yan-Min; LIU Fei-Ye; XIAO Xue-Zhang; HANG Zhou-Ming; LEI Yong-Quan; CHEN Li-Xin
• V2.1TiNi0.4Zr0.06Cu0.03M0.10 (M=Cr, Co, Fe, Nb, Ta) hydrogen storage alloys were prepared by induction melting with magn...
• 2009, 25 (02): 247-252. DOI: 10.3866/PKU.WHXB20090209

• 4597Abstract/Metrics
• 2115 PDF(1609KB)

• Characterization and Analysis of Carbon Deposited on the Surface of Ni/Al₂O₃ Catalyst for Methane Dry Reforming
• XU Jun-Ke; LI Zhao-Jing; WANG Ji-Hui; ZHOU Wei; MA Jian-Xin
• Ni/Al2O3 catalyst was prepared by evaporation method. Ni/α-Al2O3 and Ni/γ-Al2O3 catalysts were prepared using traditiona...
• 2009, 25 (02): 253-260. DOI: 10.3866/PKU.WHXB20090210

• 8375Abstract/Metrics
• 3422 PDF(903KB)

• Structure and Electronic Properties of In_nNa and In_nNa⁺(n=2-8) Clusters
• LUO Xiao-Yan; JIA Wen-Hong; ZHANG Cong-Jie
• Structures and vibrational frequencies of InnNa and InnNa+(n=2-8) clusters were investigated with density functional the...
• 2009, 25 (02): 261-266. DOI: 10.3866/PKU.WHXB20090211

• 5553Abstract/Metrics
• 1834 PDF(295KB)

• Spectrum Investigations of Chloro-Alkoxide Sol-Gel Nanostructured Tungsten Oxide Thin Films
• YUAN Jia-Guo; ZHANG Yu-Zhi; LE Jun; SONG Li-Xin; HU Xing-Fang
• Vermicular mesoporous nanostructured WO3 thin films were prepared from a chloro-alkoxide sol-gel method via controlled E...
• 2009, 25 (02): 267-272. DOI: 10.3866/PKU.WHXB20090212

• 4861Abstract/Metrics
• 2705 PDF(946KB)

• A New Type of Hydrogen-Bonded LBL Photoalignment Film for Liquid Crystal
• LV Feng-Zhen; PENG Zeng-Hui; ZHANG Ling-Li; YAO Li-Shuang; LIU Yan; XUAN Li
• A new type of hydrogen-bonded layer-by-layer (LBL) photoalignment film was fabricated and studied. The photosensitive hy...
• 2009, 25 (02): 273-277. DOI: 10.3866/PKU.WHXB20090213

• 5139Abstract/Metrics
• 2029 PDF(410KB)

• Mechanical Properties and Electronic Structures of Various SnO2 Crystal Structures
• DU Ye-Ping; CHEN Jing-Chao; FENG Jing
• Mechanical and electronic properties of different SnO2 crystal structures were studied by density functional theory. For...
• 2009, 25 (02): 278-284. DOI: 10.3866/PKU.WHXB20090214

• 5898Abstract/Metrics
• 3012 PDF(4034KB)

• Simulation of Methane Adsorption in AFS Molecular Sieves
• CHEN Shan-Jun; DAI Wei; LUO Jiang-Shan; TANG Yong-Jian; WANG Chao-Yang; SUN Wei-Guo
• The adsorption of methane in AFS molecular sieves was investigated by a grand canonical Monte Carlo (GCMC) simulation. T...
• 2009, 25 (02): 285-290. DOI: 10.3866/PKU.WHXB20090215

• 5765Abstract/Metrics
• 2186 PDF(504KB)

• Molecular Geometries and Electronic Structures of Adducts between 2’-Deoxycytidine-5’-monophosphate Acid and Hydroxyl Radical
• HOU Ruo-Bing; LI Wei-Wei; YI Xiang-Hui
• Molecular geometries and electronic structures of adducts between the hydroxyl radical and the cytosine of 2’-deoxycytid...
• 2009, 25 (02): 291-298. DOI: 10.3866/PKU.WHXB20090216

• 4403Abstract/Metrics
• 1837 PDF(2222KB)

• Improved Luminous Properties of Red Emitting Phosphors for LED Application by Charge Compensation
• CAO Fa-Bin; TIAN Yan-Wen; CHEN Yong-Jie; XIAO Lin-Jiu; LIU Yun-Yi
• Froma dynamic ball-grinding solid-state reaction, a series of red-emitting phosphors Ca0.54Sr0.16-δEu0.08Gd0.12 (MoO4)0....
• 2009, 25 (02): 299-303. DOI: 10.3866/PKU.WHXB20090217

• 4375Abstract/Metrics
• 2070 PDF(214KB)

• Electrochemical Properties of Poly(3,4-ethylenedioxythiophene)/Manganese Oxide Synthesized by Interfacial Polymerization
• CHEN Li; ZHANG Xiao-Gang; YUAN Chang-Zhou; CHEN Sheng-Yao
• Nanosized poly(3,4-ethylenedioxythiophene)/manganese oxide (PEDOT/MnO2) composite was prepared by an interfacial polymer...
• 2009, 25 (02): 304-308. DOI: 10.3866/PKU.WHXB20090218

• 4857Abstract/Metrics
• 2608 PDF(665KB)

• Thermal Behavior, Specific Heat Capacity and Adiabatic Time-to-Explosion of 3,6-Dihydrazino-1,2,4,5-tetrazine
• XU Kang-Zhen; ZHAO Feng-Qi; REN Ying-Hui; MA Hai-Xia; SONG Ji-Rong; HU Rong-Zu
• Thermal behavior of 3,6-dihydrazino-1,2,4,5-tetrazine (DHT) was studied by differential scanning calorimetry (DSC) and t...
• 2009, 25 (02): 309-313. DOI: 10.3866/PKU.WHXB20090219

• 7751Abstract/Metrics
• 1958 PDF(149KB)

• Electronic Spectra and Nonlinear Optical Properties of Thiazole Chromophores
• YOU Xiao-Li; XU Bu-Yi; LI Quan; ZHAO Ke-Qing
• Electronic spectra and second-order nonlinear optical (NLO) properties of eight thiazole chromophores were calculated by...
• 2009, 25 (02): 314-318. DOI: 10.3866/PKU.WHXB20090220

• 5005Abstract/Metrics
• 1954 PDF(564KB)

• Micelle Catalyzed Oxidation of Mannose by N-Bromophthalimide in the Presence of Sulfuric Acid
• KATRE Yokraj; SINGH Minu; PATIL Sangeeta; SINGH Ajaya K.
• The kinetics of micellar-catalyzed oxidation of mannose by N-bromophthalimide was studied in the presence of sulfuric ac...
• 2009, 25 (02): 319-326. DOI: 10.3866/PKU.WHXB20090221

• 4419Abstract/Metrics
• 2114 PDF(219KB)

• Complex Impedance Analysis of the Humidity Sensing Properties of Polypyrrole
• WANG Rui; ZHANG Tong; HE Yuan; GENG Wang-Chang; NIU Li-Gang; LI Xiao-Tian
• Polypyrrole was obtained by chemical synthesis. The extension of polymerization time to 96 h produced a polypyrrole that...
• 2009, 25 (02): 327-330. DOI: 10.3866/PKU.WHXB20090222

• 4294Abstract/Metrics
• 1958 PDF(455KB)

• Solid-Liquid Phase Equilibrium of the Quaternary System Mg²⁺, K⁺//Cl^-, B₄O^2-₇-H₂O at 288 K
• SANG Shi-Hua; PENG Jiang; WEI Li-Na
• Phase equilibria of the reciprocal quaternary system Mg2+, K+//Cl-, B4O2-7-H2O at 288 K were studied by the isothermal s...
• 2009, 25 (02): 331-335. DOI: 10.3866/PKU.WHXB20090223

• 4446Abstract/Metrics
• 1908 PDF(196KB)

• Characterization and Performance of CrO_x-Y₂O₃ Catalysts for the Synthesis of 1,1,1,2-Tetrafluoroethane
• QIAN Lin; XING Li-Qiong; BI Qing-Yuan; LI Hong-Fang; CHEN Ke-Feng; ZHANG Xue-Liang; LU Ji-Qing; LUO Meng-Fei
• The synthesis of 1,1,1,2-tetrafluoroethane from 2-chloro-1,1,1-trifluoroethane was performed over CrOx-Y2O3 catalysts pr...
• 2009, 25 (02): 336-340. DOI: 10.3866/PKU.WHXB20090224

• 5368Abstract/Metrics
• 1716 PDF(253KB)

• Simultaneous Synthesis and Linkage of Porphyrin onto Side Chain of Copolymer P(GMA-co-MMA)
• WANG Fei-Yu; GAO Bao-Jiao; WANG Rui-Xin
• The copolymerization of glyceryl methacrylate (GMA) and methyl methacrylate (MMA) was conducted in a solution polymeriza...
• 2009, 25 (02): 341-346. DOI: 10.3866/PKU.WHXB20090225

• 5095Abstract/Metrics
• 1839 PDF(276KB)

• Electronic Structures and Spectroscopic Properties of 4-[(1,2-Diphenyl)-4’-(N,N-diphenyl-4-vinylbenzenamine)] Biphenyl and Its Difluorinated Derivatives
• CUI Ming-Xia; DONG Shi-Hong; WANG Wen-Liang; YIN Shi-Wei; LV Jian
• Electronic structures and spectroscopic properties of 4-[(1,2-diphenyl)-4’-(N,N-diphenyl-4-vinylbenzenamine)] biphenyl a...
• 2009, 25 (02): 347-352. DOI: 10.3866/PKU.WHXB20090226

• 5834Abstract/Metrics
• 1923 PDF(703KB)

• N₂O Catalytic Decomposition over Mixed Oxides Derived from Zn-substituted Hydrotalcite-like Compounds
• YU Jun-Jie; ZHU Ling; ZHOU Bo; SHAO Li-Nan; ZHANG Yu-Ting; HE Xu-Wen
• A series of hydrotalcite-like precursors with different Zn contents of ZnxMg3-xAl-HT (x=0, 0.5, 1.0, 1.5, 2.0, 2.5, 3.0)...
• 2009, 25 (02): 353-359. DOI: 10.3866/PKU.WHXB20090227

• 4581Abstract/Metrics
• 1970 PDF(317KB)

• Effects of Substituents on the Reaction Barriers of the Intramolecular α-Hydrogen Transfer in Organometallic TantalumComplexes
• ZHAO Wei; WANG Chang-Sheng
• Theoretical calculations on a series of intramolecular α-hydrogen transfer reactions for organometallic tantalum complex...
• 2009, 25 (02): 360-364. DOI: 10.3866/PKU.WHXB20090228

• 3700Abstract/Metrics
• 1653 PDF(1009KB)

• SnS with Various Morphologies and Sizes as Anode Material for Lithium Ion Batteries
• LI Yang; XIE Hua-Qing; TU Jiang-Ping
• SnS materials with differentmorphologies and sizeswere synthesized by ball milling,microwave-assisted, and chemical meth...
• 2009, 25 (02): 365-370. DOI: 10.3866/PKU.WHXB20090229

• 5540Abstract/Metrics
• 2801 PDF(1811KB)

• Diels-Alder Reactions between Silabenzenes and Dienophiles
• WANG Yan; ZENG Xiao-Lan; WANG Ling
• The mechanism, potential energy surface, substituent effect and salvation effect of two types of Diels-Alder reactions b...
• 2009, 25 (02): 371-376. DOI: 10.3866/PKU.WHXB20090230

• 6054Abstract/Metrics
• 2219 PDF(1206KB)

• Binding Energy of the Electron Acceptor Cyclobis (Paraquat-Phenylene) Tetracationic Cyclophane and Electron Donating Phenyl Ether Derivatives
• XI Hai-Tao; GAO Ya-Jun; SUN Xiao-Qiang; YIN Kai-Liang; CHEN Cheng-Lung
• Interactions between the electron acceptor cyclobis(paraquat-phenylene)tetracationic cyclophane (CPQT) and electron dona...
• 2009, 25 (02): 377-381. DOI: 10.3866/PKU.WHXB20090231

• 5347Abstract/Metrics
• 2126 PDF(502KB)

Review

• Dispersion of Carbon Nanotubes by Amphiphilic Molecules
• DOU Wen-Ling; XIN Xia; XU Gui-Ying
• Recently, plenty of attention has been paid to the dispersion of carbon nanotubes by amphiphilic molecules. In this pape...
• 2009, 25 (02): 382-388. DOI: 10.3866/PKU.WHXB20090232

• 5963Abstract/Metrics
• 2679 PDF(1262KB)

• Fabrication and Manipulation of Molecular Nanostructure with Metal-Coordinated Compound on Solid Surfaces Investigated by STM
• CHEN Ting; YUAN Qun-Hui; WAN Li-Jun
• Metal-coordinated compounds with well-defined shapes and abundant functionalities are ideal building blocks for construc...
• 2009, 25 (02): 389-400. DOI: 10.3866/PKU.WHXB20090233

• 5438Abstract/Metrics
• 2246 PDF(5183KB)