Table of Contents

• Cover and Table of Contents for Vol.27 No. 3
• 2011, 27 (03): 0.

• 1586Abstract/Metrics
• 1699 PDF(25339KB)

Invited Aticle

• Doping 25-Atom and 38-Atom Gold Nanoclusters with Palladium
• QIAN Huifeng, BARRY Ellen, ZHU Yan, JIN Rongchao
• In this work, we describe two synthetic procedures for preparing palladium doped 25-atom nanoclusters (referred to as Pd...
• 2011, 27 (03): 513-519. DOI: 10.3866/PKU.WHXB20110304

• 6120Abstract/Metrics
• 3850 PDF(672KB)

REVIEW

• Mesoscopic Simulations on the Aggregation Behavior of Polymeric Surfactants in Aqueous Solutions
• PANG Jin-Yu, Lü Xin, ZHANG Jian, YUAN Shi-Ling, XU Gui-Ying
• Polymeric surfactants are widely used in many fields. Their aggregation behavior is different from that of small molecul...
• 2011, 27 (03): 520-529. DOI: 10.3866/PKU.WHXB20110328

• 5850Abstract/Metrics
• 3216 PDF(737KB)

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

• Reduced Chemical Kinetic Model of Toluene Reference Fuels for HCCI Combustion
• ZHANG Qing-Feng, ZHENG Zhao-Lei, HE Zu-Wei, WANG Ying
• We developed a reduced kinetic model for toluene reference fuel (TRF) including 70 species and 196 reactions for homogen...
• 2011, 27 (03): 530-538. DOI: 10.3866/PKU.WHXB20110334

• 5980Abstract/Metrics
• Supporting Info
• 2735 PDF(778KB)

• Design, Synthesis and Mimic Catalytic Activity of a Vanadium Haloperoxidase Conformation Model Molecule
• CAO Yun-Zhu, WEI Dong-Ming, REN Dong-Xue, CHEN Chen, XING Yong-Heng, SHI Zhan
• Based on mimicing the N, O coordination environment of the active center of vanadium haloperoxidase (V-HPOs) and the hyd...
• 2011, 27 (03): 539-546. DOI: 10.3866/PKU.WHXB20110326

• 4820Abstract/Metrics
• 1902 PDF(837KB)

• Formation Thermodynamics of Adefovir Dipivoxil-Saccharin Co-Crystals
• ZHANG Jian-Jun, ZU Hui, GAO Yuan
• The solubilities of adefovir dipivoxil (AD) in saccharin (SAC) ethanolic solutions at different temperatures and in SAC ...
• 2011, 27 (03): 547-552. DOI: 10.3866/PKU.WHXB20110330

• 4725Abstract/Metrics
• 2429 PDF(721KB)

THEORETICAL AND COMPUTATIONAL CHEMISTRY

• Stepped Behavior of Carbon Dioxide Adsorption in Metal-Organic Frameworks
• AN Xiao-Hui, LIU Da-Huan, ZHONG Chong-Li
• Grand canonical Monte Carlo (GCMC) simulations were performed to study the stepped behaviors of carbon dioxide adsorptio...
• 2011, 27 (03): 553-558. DOI: 10.3866/PKU.WHXB20110319

• 6296Abstract/Metrics
• Supporting Info
• 2312 PDF(935KB)

• Electronic Transport in Z-Shaped Graphene-Nanoribbons: Shape and Size Effects
• XU Ning, KONG Fan-Jie, WANG Yan-Zong
• Based on the Green′s function method and the Landauer-Büttiker formula, we studied the electronic transport p...
• 2011, 27 (03): 559-563. DOI: 10.3866/PKU.WHXB20110305

• 5038Abstract/Metrics
• 2229 PDF(484KB)

• Mechanisms and Kinetics of the HOSO+NO Reaction
• LI Xiao-Yan, LIU Qun, ZHENG Shi-Jun, MENG Ling-Peng
• The mechanism of the reaction between HOSO and NO was investigated at the B3LYP/6-311++G(d,p) level of theory. The geome...
• 2011, 27 (03): 564-570. DOI: 10.3866/PKU.WHXB20110308

• 4701Abstract/Metrics
• 2148 PDF(761KB)

• Reaction Mechanisms between (Cl-nacnac)Pt(H) and a Terminal Alkyne
• WANG Jia-Yong, BI Si-Wei, ZHAO Jun-Feng
• On the basis of Templeton′s experiment (West, N. M.; et al. Organometallics 2008, 27, 5252), the mechanisms of the...
• 2011, 27 (03): 571-576. DOI: 10.3866/PKU.WHXB20110312

• 5831Abstract/Metrics
• 1951 PDF(845KB)

• Mechanism of AuCl₃-Catalyzed Synthesis of Highly Substituted Furans Based on 2-(1-Alkynyl)-2-alken-1-ones
• AN Xiao-Ying, HE Rong-Xing, HUANG Cheng, LI Ming
• We investigated the mechanism of the AuCl3-catalyzed synthesis of highly substituted furans from 2-(1-alkynyl)-2-alken-1...
• 2011, 27 (03): 577-583. DOI: 10.3866/PKU.WHXB20110338

• 5213Abstract/Metrics
• 1837 PDF(690KB)

• Second-Order Nonlinear Optical Properties of Organic Heteroaromatic Molecules with Carbazole Chromophores
• ZHAO Min, ZHANG Yuan, WANG Lu
• Density functional theory (DFT) B3LYP/6-31G* method was used to optimize the geometrical structures of a series of heter...
• 2011, 27 (03): 584-588. DOI: 10.3866/PKU.WHXB20110316

• 5405Abstract/Metrics
• 1744 PDF(548KB)

• Effect of Substituents on the Optical Properties of 3(5)-(9-Anthryl) Pyrazole
• WANG Kun-Peng, WANG Chang-Sheng
• The ground state (S0) structures of 3(5)-(9-anthryl) pyrazole and its derivatives were obtained using the density functi...
• 2011, 27 (03): 589-594. DOI: 10.3866/PKU.WHXB20110303

• 4494Abstract/Metrics
• 1698 PDF(560KB)

• A First-Principles Method for Predicting Redox Potentials of Nucleobases and the Metabolites in Aqueous Solution
• LI Min-Jie, LIU Wei-Xia, PENG Chun-Rong, LU Wen-Cong
• Redox potentials are of importance in understanding the charge/electron transfer processes involved in nucleic acids. In...
• 2011, 27 (03): 595-603. DOI: 10.3866/PKU.WHXB20110333

• 4938Abstract/Metrics
• Supporting Info
• 1813 PDF(740KB)

ELECTROCHEMISTRY AND NEW ENERGY

• Electrocatalytic Performance of Pd Catalyst Supported on Macropore Carbon for Oxidation of Formic Acid
• LIU Chun-Yan, XU Bin, TANG Ya-Wen, CAO Gao-Ping, YANG Yu-Sheng, LU Tian-Hong
• The electrocatalytic performances of a Vulcan XC-72 carbon black supported Pd (Pd/XC) catalyst and a macroporous carbon ...
• 2011, 27 (03): 604-608. DOI: 10.3866/PKU.WHXB20110301

• 5078Abstract/Metrics
• 2479 PDF(2695KB)

• Synthesis and Properties of Spindle-Shaped LiFePO₄ for the Cathode Material of Lithium Ion Battery
• SU Chang, LU Guo-Qiang, XU Li-Huan, ZHANG Cheng, MA Chun-An
• We synthesized LiFePO4 directly by a solvothermal method at low temperature and then a heat treatment was carried out to...
• 2011, 27 (03): 609-614. DOI: 10.3866/PKU.WHXB20110241

• 4965Abstract/Metrics
• 2434 PDF(434KB)

• Supercapacitance of NiCo₂O₄ Nanowire Arrays Grown on Nickel Foam
• YU Li-Qiu, CHEN Shu-Li, CHANG Sha, LI Yun-Hu, GAO Yin-Yi, WANG Gui-Ling CAO Dian-Xue
• We prepared an electrode consisting of NiCo2O4 nanowire arrays that stand freely on nickel foam by a template-free growt...
• 2011, 27 (03): 615-619. DOI: 10.3866/PKU.WHXB20110317

• 6042Abstract/Metrics
• 4194 PDF(638KB)

• Preparation of Microporous Carbon Using a Zeolite HY Template and Its Capacitive Performance
• LI Wen, ZHOU Jin, XING Wei, ZHUO Shu-Ping, Lü Yi-Min
• Several microporous carbons were prepared by polyfurfuryl alcohol-impregnation and impregnation-acetonitrile chemical va...
• 2011, 27 (03): 620-626. DOI: 10.3866/PKU.WHXB20110331

• 5128Abstract/Metrics
• 2631 PDF(925KB)

• Catalytic Oxidation of Sulfide Ion over a Spherular-Co₃O₄ Electrode
• LAO Guo-Hong, SHAO Hai-Bo, FAN Yu-Qian, WANG Jian-Ming, ZHANG Jian-Qing, CAO Chu-Nan
• Spherular-Co3O4 particles were synthesized on graphite electrode surface by ammonia-evaporation-induction. Its electroox...
• 2011, 27 (03): 627-632. DOI: 10.3866/PKU.WHXB20110240

• 4895Abstract/Metrics
• 1756 PDF(654KB)

• Electrochemical Study on Electroless Nickel Plating Using Sodium Borohydride as the Reductant
• JIA Fei, WANG Zhou-Cheng
• We studied electroless Ni-B plating with sodium borohydride as the reductant by linear sweep voltammetry. The effects of...
• 2011, 27 (03): 633-640. DOI: 10.3866/PKU.WHXB20110302

• 7130Abstract/Metrics
• 3454 PDF(733KB)

• Mechanism of Au Electrodeposition onto Indium Tin Oxide
• TANG Jing, TIAN Xiao-Chun, ZHOU Fu-Qing, LIU Yue-Qiang, LIN Jian-Hang
• Cyclic voltammetric and chronoamperometric methods were used to study the initial stage of Au electrodeposition on an in...
• 2011, 27 (03): 641-646. DOI: 10.3866/PKU.WHXB20110322

• 6664Abstract/Metrics
• 3043 PDF(828KB)

• Corrosion Inhibition by Sorbitol/Diethylenetriamine Condensation Product for Carbon Steel in 3.5% NaCl Saturated Ca(OH)₂ Solution
• ZHOU Xin, YANG Huai-Yu, WANG Fu-Hui
• The inhibitive action of a sorbitol/diethylenetriamine condensation (SDC) product toward carbon steel corrosion in satur...
• 2011, 27 (03): 647-654. DOI: 10.3866/PKU.WHXB20110315

• 5386Abstract/Metrics
• 2069 PDF(779KB)

• Effect of Alkylimidazolium Ionic Liquids on the Corrosion Inhibition of Copper in Sulfuric Acid Solution
• ZHANG Qi-Bo, HUA Yi-Xin
• The effects of three newly synthesized alkylimidazolium based ionic liquids: 1-butyl-3- methylimidazolium hydrogen sulfa...
• 2011, 27 (03): 655-663. DOI: 10.3866/PKU.WHXB20110339

• 5560Abstract/Metrics
• 2094 PDF(803KB)

SOFT MATTER

• Synthesis and Solution Properties of the Photo-Sensitive Telechelic Polymer——Coumarin-Containing Poly(4-vinylpyridine)
• JIANG Jin-Qiang, QIANG Jing, NI Zhong-Bin, SONG Xiao-Qing, ZHANG Hong-Wu, LIU Xiao-Ya, CHEN Ming-Qing
• A novel photo-sensitive telechelic polymer——coumarin-containing poly(4-vinylpyridine) (C- P4VP) was prepared...
• 2011, 27 (03): 664-670. DOI: 10.3866/PKU.WHXB20110238

• 5894Abstract/Metrics
• 2575 PDF(756KB)

• Interaction of Hydrophobically Associating Polyacrylamide with Gemini Surfactant
• CHEN Hong, LI Er-Xiao, YE Zhong-Bin, HAN Li-Juan, LUO Ping-Ya
• A fatty acid disulfonate anionic gemini surfactant was prepared and the structure of the surfactant was characterized by...
• 2011, 27 (03): 671-676. DOI: 10.3866/PKU.WHXB20110306

• 5669Abstract/Metrics
• 2486 PDF(667KB)

CATALYSIS AND SURFACE SCIENCE

• Acid Dye Adsorption Properties of Ethylenediamine-Modified Magnetic Chitosan Nanoparticles
• ZHOU Li-Min, SHANG Chao, LIU Zhi-Rong
• Ethylenediamine-modified magnetic chitosan nanoparticles (EMCN) were prepared and used for the adsorption of Acid Orange...
• 2011, 27 (03): 677-682. DOI: 10.3866/PKU.WHXB20110314

• 6157Abstract/Metrics
• 1927 PDF(638KB)

• Preparation of Sulfonated Carbon Nanotubes/Activated Carbon Composite Beads and Their Adsorption Capacity for Low Density Lipoprotein
• LU Yue-Mei, GONG Qian-Ming, LU Fang-Ping, LIANG Ji, NIE Qing-Dong, ZHANG Xiu-Mei
• Sulfonated carbon nanotubes (CNTs)/activated carbon composite beads were obtained by suspension polymerization, carboniz...
• 2011, 27 (03): 683-688. DOI: 10.3866/PKU.WHXB20110307

• 6320Abstract/Metrics
• 2665 PDF(790KB)

• Synthesis of Micro/Mesoporous Composites and Their Application as CO₂ Adsorbents
• MA Yan-Hui, ZHAO Hui-Ling, TANG Sheng-Jie, HU Jun, LIU Hong-Lai
• We synthesized a series of micro/mesoporous composites of S-β-MCM41(c), P-β-MCM41(c), P-ZSM-MCM41(c), P-ZSM-C ...
• 2011, 27 (03): 689-696. DOI: 10.3866/PKU.WHXB20110335

• 5645Abstract/Metrics
• 3642 PDF(931KB)

• Mechanism of Biogas Reforming for Hydrogen Production over Ni-Co Bimetallic Catalyst
• XU Jun-Ke, SHEN Li-Hong, ZHOU Wei, MA Jian-Xin
• Ni-Co bimetallic catalysts supported on commercial γ-Al2O3 modified with La2O3 were prepared by conventional incip...
• 2011, 27 (03): 697-704. DOI: 10.3866/PKU.WHXB20110309

• 6623Abstract/Metrics
• 1911 PDF(785KB)

• Effect of Supports on the Catalytic Performance of Pd-Cu/Activated Carbon Catalyst for Eliminating CO in Cigarette Smoke
• ZHAN Wang-Cheng, ZHOU Guo-Jun, CHU Guo-Hai, SHEN Kai, YU Jun, WANG Ai-Yong, SU Na, LU Guan-Zhong, GUO Yang-Long
• Pd-Cu/activated carbon catalysts were prepared by wetness impregnation and their performance in the room-temperature cat...
• 2011, 27 (03): 705-710. DOI: 10.3866/PKU.WHXB20110311

• 4972Abstract/Metrics
• 2061 PDF(654KB)

• Pt-Ni Catalyst Supported on CMK-5 for the Electrochemical Oxidation of Methanol
• DING Xiao-Chun, CHEN Xiu, ZHOU Jian-Hua, WANG Tao, SUN Dun, HE Jian-Ping
• Pt-Ni alloy catalysts with different atomic ratios were deposited on CMK-5 (carbon replicated from SBA-15 silica) by NaB...
• 2011, 27 (03): 711-716. DOI: 10.3866/PKU.WHXB20110327

• 4604Abstract/Metrics
• 2184 PDF(695KB)

PHOTOCHEMISTRY AND RADIATION CHEMISTRY

• Third Order Nonlinear Optical Properties of Benzyltriethylamine Bis(2-thioxo-1,3-dithiole-4,5-dithiolato) Aurate(III)
• CHEN Jing-Wei, WANG Xin-Qiang, REN Quan, LI Ting-Bin, YANG Hong-Liang, ZHANG Jing-Nan, LI Guo-Chao
• We prepared a new crystalline nonlinear optical coordination compound, benzyltriethylamine bis (2-thioxo-1,3-dithiole-4,...
• 2011, 27 (03): 717-721. DOI: 10.3866/PKU.WHXB20110340

• 4849Abstract/Metrics
• 1731 PDF(2692KB)

PHYSICAL CHEMISTRY OF MATERIALS

• Preparation and Antibacterial Properties of Water-Soluble Ag Nanoparticles
• SUN Lei, LIU Ai-Xin, HUANG Hong-Ying, TAO Xiao-Jun, ZHAO Yan-Bao, ZHANG Zhi-Jun
• Water-soluble surface modified silver nanoparticles were synthesized by liquid phase reduction with tannic acid as the r...
• 2011, 27 (03): 722-728. DOI: 10.3866/PKU.WHXB20110235

• 6357Abstract/Metrics
• 4250 PDF(593KB)

• Delicately Controlled Synthesis of Mesoporous Carbon Materials with Thin Pore Walls
• WANG Yu, YU Gang, CAI Bin, ZHU Yue-Xiang, XIE You-Chang
• Mesoporous carbon materials with a range of pore sizes were synthesized by a delicately controlled procedure using disor...
• 2011, 27 (03): 729-735. DOI: 10.3866/PKU.WHXB20110321

• 4950Abstract/Metrics
• 1783 PDF(759KB)

• Synthesis and Structural Characterization of Graphene-Based Membranes
• YANG Yong-Hui, SUN Hong-Juan, PENG Tong-Jiang, HUANG Qiao
• A stable hydrosol of graphene was synthesized by oxidation reduction and then a flow assembly of this graphene was used ...
• 2011, 27 (03): 736-742. DOI: 10.3866/PKU.WHXB20110320

• 11018Abstract/Metrics
• 15116 PDF(655KB)

• Controlled Synthesis of Mesoporous MnO₂ Nanospindles
• HAN Ling, NI Ji-Peng, ZHANG Liang-Miao, YUE Bao-Hua, SHEN Shan-Shan, ZHANG Hao, LU Wen-Cong
• We synthesized mesoporous MnO2 nanospindles by a one-step hydrothermal process in an aqueous solution of KMnO4 and gluco...
• 2011, 27 (03): 743-748. DOI: 10.3866/PKU.WHXB20110318

• 5609Abstract/Metrics
• 2024 PDF(606KB)

• Fabrication of Large Area of Anodic Aluminum Oxide Ultrathin Film Directly onto an ITO Electrode with a Ti Buffer Layer
• XIAO Lixin, DUAN Laiqiang, CHAI Junyi, WANG Yun, CHEN Zhijian, QU Bo, GONG Qihuang
• An anodic aluminum oxide (AAO) ultrathin film (~140 nm, about half the thickness of the original Al film) was successful...
• 2011, 27 (03): 749-753. DOI: 10.3866/PKU.WHXB20110310

• 6446Abstract/Metrics
• 2380 PDF(650KB)

• Electrostatically Self-Assembled Films Prepared Using Bipolar Thiophene Hemicyanine and Prussian Blue
• WANG Zhi-Ping, LUO Hong, GAO Li-Hua, WANG Ke-Zhi
• We successfully prepared a novel inorganic-organic hybrid electrostatically self-assembled multilayer film by alternatel...
• 2011, 27 (03): 754-758. DOI: 10.3866/PKU.WHXB20110313

• 5108Abstract/Metrics
• 1693 PDF(691KB)