Table of Contents

• Cover and Table of Contents for Vol.27 No. 6
• 2011, 27 (06): 0.

• 1875Abstract/Metrics
• 1795 PDF(5115KB)

REVIEW

• Morphology-Controllable Noble Metal Nanoparticles: Synthesis, Optical Property and Growth Mechanism
• CAO Yan-Li, DING Xiao-Long, LI Hong-Chen, YI Zhao-Guang, WANG Xiang-Fu, ZHU Jie-Jun, KAN Cai-Xia
• In the past two decades, noble metal nanoparticles have been the focus of intensive research due to their unique propert...
• 2011, 27 (06): 1273-1286. DOI: 10.3866/PKU.WHXB20110604

• 7837Abstract/Metrics
• 7431 PDF(1067KB)

• p-Type and pn-Type Dye-Sensitized Solar Cells
• SHI Ji-Fu, XU Gang, MIAO Lei, XU Xue-Qing
• In view of the scientific issues lying behind (1) the p-type dye-sensitized solar cells (DSCs) (the limited dye loading ...
• 2011, 27 (06): 1287-1299. DOI: 10.3866/PKU.WHXB20110603

• 6535Abstract/Metrics
• 3731 PDF(867KB)

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

• Solubilization of Polyalcohol in Supercritical CO₂ Microemulsion
• ZHOU Dan, YU Wen, XU Qin-Qin, YIN Jian-Zhong
• We mainly investigated the phase behavior of the AOT (sodium bis-(2-ethylhexyl) sulfosuccinate/CO2/ethanol/water quatern...
• 2011, 27 (06): 1300-1304. DOI: 10.3866/PKU.WHXB20110616

• 5980Abstract/Metrics
• 1644 PDF(672KB)

• Memory Effects of Structure I and II Gas Hydrates
• LIU Yu, ZHAO Jia-Fei, GUO Chang-Song, SONG Yong-Chen, LIU Wei-Guo, CHENG Chuan-Xiao, YE Chen-Cheng, XUE Kai-Hua
• We studied the reformation processes for structure I (sI) (methane, carbon dioxide) and structure II (sII) (propane) gas...
• 2011, 27 (06): 1305-1311. DOI: 10.3866/PKU.WHXB20110635

• 5461Abstract/Metrics
• 1937 PDF(1328KB)

• Thermodynamic Analysis of Silicothermic Reduction Zinc Oxide in Vacuum
• YU Chao, QIU Ke-Qiang, CHEN Qi-Yuan
• The Gibbs free energy of a vacuum silicothermic reduction for the production of metallic zinc was calculated and analyze...
• 2011, 27 (06): 1312-1318. DOI: 10.3866/PKU.WHXB20110524

• 5219Abstract/Metrics
• 2170 PDF(859KB)

• Crystal Structure and Thermochemical Properties of Bis(n-Nonylammonium) Tetrachlorozincate
• LU Dong-Fei, DI You-Ying, HE Dong-Hua
• We synthesized crystalline bis(n-nonylammonium) tetrachlorozincate (C9H19NH3)2ZnCl4(s) (C9Zn(s)). X-ray single crystal d...
• 2011, 27 (06): 1319-1324. DOI: 10.3866/PKU.WHXB20110526

• 4374Abstract/Metrics
• 1374 PDF(733KB)

• Reaction Kinetics of the Intermediate in Synthesis of LiCoPO₄ by Solid-State Reaction
• HUANG Ying-Heng, TONG Zhang-Fa, WEI Teng-You, LI Bin
• A precursor NH4CoPO4 containing Li+ was synthesized using a low temperature solid-state reaction with ammonium dihydroge...
• 2011, 27 (06): 1325-1334. DOI: 10.3866/PKU.WHXB20110507

• 5673Abstract/Metrics
• 1753 PDF(780KB)

THEORETICAL AND COMPUTATIONAL CHEMISTRY

• Theoretical Investigation of Chemically Enhanced Mechanism of SERS Spectroscopy for Ag/MPH/TiO₂ System
• SUN Lei, BAI Fu-Quan, ZHANG Hong-Xing
• A chemically enhanced mechanism of surface-enhanced Raman scattering (SERS) spectroscopy was investigated using density ...
• 2011, 27 (06): 1335-1340. DOI: 10.3866/PKU.WHXB20110602

• 5731Abstract/Metrics
• 2102 PDF(714KB)

• Molecular Dynamics Simulation of the Influence of Crystal Orientation on the Formation Probability of Silver Monoatomic Chains during Stretching
• LIU Yun-Hong, GAO Ya-Jun, WANG Fen-Ying, ZHU Tie-Min, ZHAO Jian-Wei
• We carried out molecular dynamics simulations using an embedded atom method to investigate the mechanical properties and...
• 2011, 27 (06): 1341-1345. DOI: 10.3866/PKU.WHXB20110605

• 5068Abstract/Metrics
• 2077 PDF(2554KB)

• Structures and Properties of NFeN and the Reaction Potential Energy Curves
• CAI Yue-Piao, WANG Chao-Jie
• The geometrical structures, electronic structures, energetics and vibrational frequencies of bent and linear NFeN molecu...
• 2011, 27 (06): 1346-1356. DOI: 10.3866/PKU.WHXB20110522

• 6244Abstract/Metrics
• Supporting Info
• 2223 PDF(952KB)

• Quasi-Classical Trajectory Study on the Reaction Kinetics of Li+HF(ν=0, j=0)→LiF+H
• LI Ya-Min, SUN Ping
• A theoretical study of the Li+HF (ν=0, j=0)→LiF+H reaction was carried out using the quasi- classical trajectory...
• 2011, 27 (06): 1357-1360. DOI: 10.3866/PKU.WHXB20110625

• 4787Abstract/Metrics
• 1854 PDF(630KB)

• Quantum Chemistry Study on the Stable Structures of C₂H₅OH(H₂O)_n (n=1-9) Clusters
• HAN Guang-Zhan, ZHANG Chao, GAO Ji-Gang, QIAN Ping
• We studied C2H5OH(H2O)n (n=1-9) clusters using density functional theory (DFT) at the B3LYP/6-311++G(2d,2p)//B3LYP/6-311...
• 2011, 27 (06): 1361-1371. DOI: 10.3866/PKU.WHXB20110612

• 6112Abstract/Metrics
• 2559 PDF(1417KB)

• Structure and Kinetics of Hydrogen Bonds in Aqueous Glucose Solutions
• CHEN Cong, LI Wei-Zhong, SONG Yong-Chen, WENG Lin-Dong
• Hydrogen bonding structure and kinetics in aqueous glucose solutions with different concentrations were studied using th...
• 2011, 27 (06): 1372-1378. DOI: 10.3866/PKU.WHXB20110626

• 6542Abstract/Metrics
• Supporting Info
• 2762 PDF(895KB)

• Molecular Dynamics Simulation of Binding Energies, Mechanical Properties and Energetic Performance of the RDX/BAMO Propellant
• LI Miao-Miao, SHEN Rui-Qi, LI Feng-Sheng
• Molecular dynamics (MD) simulations were performed to investigate the well-known energetic material cyclotrimethylene tr...
• 2011, 27 (06): 1379-1385. DOI: 10.3866/PKU.WHXB20110601

• 4643Abstract/Metrics
• 2015 PDF(853KB)

• Reaction Mechanism for Propylene Carbonate Prepared by KI/NH₃ Catalysis from Propylene Oxide and CO₂
• DENG Ping, ZHANG Hai-Dong, JIANG Jun-Hao, JIANG Qi-Hua
• The reaction mechanisms for the preparation of propylene carbonate (PC) from propylene oxide (PO) and CO2 in the absence...
• 2011, 27 (06): 1386-1392. DOI: 10.3866/PKU.WHXB20110615

• 6949Abstract/Metrics
• 2152 PDF(867KB)

• Theoretical Study of Ethylene Dimerization on the Ga/HZSM-5 Zeolite
• LI Jing-Hong, ZHOU Dan-Hong, REN Jue
• We studied the reaction mechanisms of ethylene dimerization to 1-butene on Ga/HZSM-5 and Al/HZSM-5 zeolite catalysts by ...
• 2011, 27 (06): 1393-1399. DOI: 10.3866/PKU.WHXB20110631

• 5608Abstract/Metrics
• 1510 PDF(674KB)

• Monte Carlo Investigation into C4 Hydrocarbon Adsorption in FAU, BEA and LTL Zeolites
• ZHAI Dong, ZHAO Liang, PAN Hui-Fang, ZHAO Zhen, DUAN Ai-Jun, GAO Jin-Sen, CHEN Yu
• The adsorption of 1,3-butadiene, 1-butylene, and n-butane in FAU, BEA, and LTL zeolites was investigated by Monte Carlo ...
• 2011, 27 (06): 1400-1406. DOI: 10.3866/PKU.WHXB20110614

• 6947Abstract/Metrics
• 1990 PDF(868KB)

• Prediction of Hepatitis C Virus Non-Structural Proteins 5B Polymerase Inhibitors Using Machine Learning Methods
• Lü Wei, XUE Ying
• Non-structural proteins 5B (NS5B) play an important role in protein maturation and gene replication as an RNA dependent ...
• 2011, 27 (06): 1407-1416. DOI: 10.3866/PKU.WHXB20110608

• 5510Abstract/Metrics
• Supporting Info
• 1949 PDF(874KB)

ELECTROCHEMISTRY AND NEW ENERGY

• Preparation and Electrocatalytic Performance of Ni-Mo/LaNi₅ Porous Composite Electrode toward Hydrogen Evolution Reaction
• WANG Sen-Lin, ZHANG Yi
• A Ni-Mo/LaNi5 porous composite electrode was successfully prepared by composite electrodeposition and dissolution with a...
• 2011, 27 (06): 1417-1423. DOI: 10.3866/PKU.WHXB20110510

• 5426Abstract/Metrics
• 1882 PDF(988KB)

• Preparation of Manganese Dioxide for Electrodes of Supercapacitors Based on Duplex Stainless Steel
• LI Zhao, XU Ju-Liang, LI Xu-Yan, GUO Li-Fang, LI Jin, JIANG Yi-Ming
• A nano-structured manganese dioxide thin film was electrochemically deposited onto a 2304 duplex stainless steel (DSS) e...
• 2011, 27 (06): 1424-1430. DOI: 10.3866/PKU.WHXB20110611

• 5815Abstract/Metrics
• 2507 PDF(929KB)

• Capacitive Performance of Tunable Ordered Mesoporous Carbons in Organic and H₂SO₄ Electrolytes
• ZHOU Jin, LI Wen, XING Wei, ZHUO Shu-Ping
• Ordered mesoporous carbon materials were prepared by doping boric acid using a hard- templating method. The capacitive p...
• 2011, 27 (06): 1431-1438. DOI: 10.3866/PKU.WHXB20110634

• 4879Abstract/Metrics
• 1743 PDF(1103KB)

• Surfactant Carbonization to Synthesize a Fe₃O₄/C Composite and Its Electrochemical Performance
• CHENG Feng, HUANG Ke-Long, LIU Su-Qin, FANG Xue-Song, ZHANG Xin
• Oleic acid-capped α-Fe2O3 nanoparticles were initially prepared as precursors by a simple hydrothermal method. Fe3...
• 2011, 27 (06): 1439-1445. DOI: 10.3866/PKU.WHXB20110607

• 5556Abstract/Metrics
• 2647 PDF(1167KB)

• Electrocrystallization of Pd-Ni Alloys on Glassy Carbon Electrode
• YUE Jun-Pei, YANG Fang-Zu, TIAN Zhong-Qun, ZHOU Shao-Min
• Using the Scharifker and Hills model and Heerman and Tarallo model, cyclic voltammetry and chronoamperometry were used t...
• 2011, 27 (06): 1446-1450. DOI: 10.3866/PKU.WHXB20110620

• 5291Abstract/Metrics
• 2300 PDF(570KB)

• Electrosynthesis and Characterization of Metal Chelate Imprinted Poly-o-Phenylenediamine Films
• WANG Lian-Yan, LU Feng, WU Fu-Quan, GU Ren-Ao, YAO Jian-Lin, ZHANG Hai-Lu, DENG Zong-Wu
• Novel molecularly imprinted polymers (MIPs) were synthesized by the electrochemical polymerization of o-phenylenediamine...
• 2011, 27 (06): 1451-1456. DOI: 10.3866/PKU.WHXB20110628

• 5349Abstract/Metrics
• 2485 PDF(850KB)

• Effect of Benzotriazole as Corrosion Inhibitor for Reinforcing Steel in Cement Mortar
• SHI Jin-Jie, SUN Wei
• The effects of benzotriazole (BTA) on the corrosion behavior of reinforcing steel in mortar specimens were studied by co...
• 2011, 27 (06): 1457-1466. DOI: 10.3866/PKU.WHXB20110528

• 5108Abstract/Metrics
• 1683 PDF(1390KB)

SOFT MATTER

• Interaction between Gemini and DNA at the Air/Water Interface
• KANG Xue-Li, CHEN Qi-Bin, SHANG Ya-Zhuo, LIU Hong-Lai
• Monolayers may be obtained by an electrostatic force between cationic surfactants and anionic electrolyte deoxyribonucle...
• 2011, 27 (06): 1467-1473. DOI: 10.3866/PKU.WHXB20110606

• 4756Abstract/Metrics
• 1531 PDF(996KB)

CATALYSIS AND SURFACE SCIENCE

• Adsorption Behavior and Thermodynamics of Iminodiacetic Acid-Type Material IDAA-PGMA/SiO₂ for Heavy Metal Ions and Rare Earth Ions
• JIANG Gui-Ming, GAO Bao-Jiao, XU Wen-Mei, WANG Xiao-Hua
• Glycidyl methacrylate (GMA) was grafted onto micron-sized silica gel particles and the grafted particles of PGMA/SiO2 we...
• 2011, 27 (06): 1474-1481. DOI: 10.3866/PKU.WHXB20110529

• 5418Abstract/Metrics
• 2662 PDF(2426KB)

• Reduced Graphene Oxide-Modified Bi₂WO₆ as an Improved Photocatalyst under Visible Light
• YING Hong, WANG Zhi-Yong, GUO Zheng-Duo, SHI Zu-Jin, YANG Shang-Feng
• A new and improved photocatalyst, reduced graphene oxide (RGO)-modified Bi2WO6 (Bi2WO6-RGO), was synthesized by a two-st...
• 2011, 27 (06): 1482-1486. DOI: 10.3866/PKU.WHXB20110630

• 6178Abstract/Metrics
• 2540 PDF(655KB)

• Structure, Surface Properties and Photocatalytic Activity of TiO₂ and TiO₂/SiO₂ Catalysts Prepared at Different pH Values
• QIU Wei, REN Cheng-Jun, GONG Mao-Chu, HOU Yun-Ze, CHEN Yao-Qiang
• TiO2 and SiO2-doped TiO2 (TiO2/SiO2) catalysts were prepared using aqueous solutions containing a TiOSO4 and/or SiO2 sol...
• 2011, 27 (06): 1487-1492. DOI: 10.3866/PKU.WHXB20110621

• 5900Abstract/Metrics
• 2632 PDF(763KB)

• Higher Alcohol Synthesis from Bio-Syngas over Na-Promoted CuCoMn Catalyst
• YE Tong-Qi, ZHANG Zhao-Xia, XU Yong, YAN Shi-Zhi, ZHU Jiu-Fang, LIU Yong, LI Quan-Xin
• Na-promoted CuCoMn catalysts were successfully applied to the highly efficient production of higher alcohols from bio-sy...
• 2011, 27 (06): 1493-1500. DOI: 10.3866/PKU.WHXB20110610

• 5430Abstract/Metrics
• 1916 PDF(581KB)

• Aromatization of Ethanol over Metal Modified P/HZSM-5 Zeolite
• ZHANG Shao-Long, LI Bin, ZHANG Fei-Yue, MA Li, HAN Yan-Hua, FAN Min-Guang
• A series of P/HZSM-5 zeolites modified with different metals (Cr, Co, Cu, Zn) were prepared by impregnation. The physico...
• 2011, 27 (06): 1501-1508. DOI: 10.3866/PKU.WHXB20110517

• 5157Abstract/Metrics
• 2201 PDF(705KB)

• Preparation and Visible Light Photocatalytic Activity of Titanium Dioxide Coated Multiwalled Carbon Nanotubes
• CONG Ye, QIN Yun, LI Xuan-Ke, DONG Zhi-Jun, YUAN Guan-Ming, CUI Zheng-Wei
• Titanium dioxide coated multiwalled carbon nanotubes (MWCNTs) composite photocatalysts were prepared by the controllable...
• 2011, 27 (06): 1509-1515. DOI: 10.3866/PKU.WHXB20110624

• 6693Abstract/Metrics
• 2561 PDF(793KB)

PHOTOCHEMISTRY AND RADIATION CHEMISTRY

• Synthesis, Characterization and Properties of Electron Donor-Acceptor Complexes Based on 9,9-Diarylfluorene
• OUYANG Mi, XIANG Wen-Qin, ZHANG Yu-Jian, JIN Yan-Xian, ZHANG Cheng
• A series of fluorene-triphenylamine derivatives containing an electron donor-acceptor (D-A) structure based on 9,9-diary...
• 2011, 27 (06): 1516-1524. DOI: 10.3866/PKU.WHXB20110609

• 6035Abstract/Metrics
• 2791 PDF(4552KB)

BIOPHYSICAL CHEMISTRY

• Microcalorimetric Study of the Influence of Extracellular NaCl Concentration on the Growth Metabolism of Halobacterium halobiumZENG Chi1,* ZHU Jian-Yu
• ZENG Chi, ZHU Jian-Yu
• Microcalorimetry was used to study the influence of extracellular NaCl concentration on the growth metabolism of Halobac...
• 2011, 27 (06): 1525-1530. DOI: 10.3866/PKU.WHXB20110618

• 5005Abstract/Metrics
• 1565 PDF(848KB)

PHYSICAL CHEMISTRY OF MATERIALS

• Influence of Deposition Temperature on the SiN_x:H Film Prepared by Plasma Enhanced Chemical Vapor Deposition
• WEN Zhen-Li, CAO Xiao-Ning, ZHOU Chun-Lan, ZHAO Lei, LI Hai-Ling, WANG Wen-Jing
• Hydrogenated silicon nitride films were prepared on the p-type polished silicon substrates by the direct plasma enhanced...
• 2011, 27 (06): 1531-1536. DOI: 10.3866/PKU.WHXB20110632

• 5475Abstract/Metrics
• 2787 PDF(976KB)

• LiMn(BH₄)₃/2LiCl Composite Synthesized by Reactive Ball-Milling and Its Dehydrogenation Properties
• FANG Fang, LI Yong-Tao, SONG Yun, ZHA Jun, ZHAO Bin, SUN Da-Lin
• A LiMn(BH4)3/2LiCl composite was prepared by reactive ball-milling a mixture of LiBH4 and MnCl2, and its dehydrogenation...
• 2011, 27 (06): 1537-1542. DOI: 10.3866/PKU.WHXB20110617

• 5563Abstract/Metrics
• 1744 PDF(804KB)

• Synthesis and Raman Property of Porous Jujube-Like Cu₂O Hierarchy Structure
• SUN Du, YIN Peng-Gang, GUO Lin
• Structural engineering of nanocrystals is of great importance to control the properties of semiconductor oxides. Here, w...
• 2011, 27 (06): 1543-1550. DOI: 10.3866/PKU.WHXB20110619

• 5290Abstract/Metrics
• 3336 PDF(732KB)