Table of Contents

• Cover and Table of Contents for Vol.30 No. 8
• 2014, 30 (8): 0

• 336Abstract/Metrics
• 1060 PDF(11657KB)

REVIEW

• Recent Research Progress in Alkaline Polymer Electrolyte Membranes for Alkaline Solid Fuel Cells
• HOU Hong-Ying
• Alkaline polymer electrolyte membrane fuel cell (APEMFC) has received much recent attention, primarily motivated by thei...
• 2014, 30 (8): 1393 -1407 DOI: 10.3866/PKU.WHXB201406171

• 1916Abstract/Metrics
• 2518 PDF(2687KB)

Retracted

• Development of a Home-Made Long Path Absorption Photometer for the Sensitive Detection of Nitrous Acid
• CHEN Lin, HOU Si-Qi, WANG Wei-Gang, TONG Sheng-Rui, PEI Ke-Mei, GE Mao-Fa
• This article has been retracted at the request of the authors.
• 2014, 30 (8): 1408 -1415 DOI: 10.3866/PKU.WHXB201406032

• 1191Abstract/Metrics
• 1142 PDF(941KB)

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

• Rotamers of m-Methylanisole Studied by Mass-Analyzed Threshold Ionization Spectroscopy
• QIN Chen, TZENG Sheng-Yuan, ZHANG Bing, TZENG Wen-Bih
• The S1←S0 electronic transition and threshold ionization of the cis and trans rotamers of m-methylanisole were inve...
• 2014, 30 (8): 1416 -1425 DOI: 10.3866/PKU.WHXB201405232

• 1089Abstract/Metrics
• 880 PDF(721KB)

• pVT Properties of Alkanes Using Crossover VTSRK Equation of State
• SHEN Ai-Jing, DUAN Yuan-Yuan, YANG Zhen
• Accurate predictions of the pVT properties of alkanes are very important since they are associated with many fundamental...
• 2014, 30 (8): 1426 -1431 DOI: 10.3866/PKU.WHXB201405231

• 1057Abstract/Metrics
• 932 PDF(578KB)

THEORETICAL AND COMPUTATIONAL CHEMISTRY

• Effects of A-Site Substitutions on Negative Thermal Expansion in PbTiO₃ fromFirst-Principles Calculations
• WANG Fang-Fang, CAO Zhan-Min, CHEN Jun, XING Xian-Ran
• Recent experimental results have indicated that the negative thermal expansion is a common phenomenon in PbTiO3-based ma...
• 2014, 30 (8): 1432 -1436 DOI: 10.3866/PKU.WHXB201405281

• 1508Abstract/Metrics
• 1456 PDF(2265KB)

• Stability and Raman Spectroscopy of Alkane Guest Molecules (C_nH_m, n≤6, m≤14) in 5¹²6² and 5¹²6⁴ Water Cavities by Density Functional Theory Calculations
• CAO Xiao-Xiao, SU Yan, ZHAO Ji-Jun, LIU Chang-Ling, ZHOU Pan-Wang
• The gas composition in natural gas hydrate deposits is complex, and therefore the use of spectroscopic analysis to eluci...
• 2014, 30 (8): 1437 -1446 DOI: 10.3866/PKU.WHXB201405292

• 1392Abstract/Metrics
• 1013 PDF(922KB)

• Theoretical Studies on Low-Lying States of AuX (X=O, S)
• LIANG Yan-Ni, WANG Fan
• Multireference approaches have commonly been employed to calculate low-lying states of openshell molecules with spin-orb...
• 2014, 30 (8): 1447 -1455 DOI: 10.3866/PKU.WHXB201405302

• 836Abstract/Metrics
• 1019 PDF(616KB)

• Selective Hydrogenation Mechanism of Cinnamaldehyde on Au(111) Surface
• XIAO Xue-Chun, SHI Wei, NI Zhe-Ming
• The adsorption behavior and selective hydrogenation reaction mechanisms (C=O addition, C=C addition, and 1,4-conjugate a...
• 2014, 30 (8): 1456 -1464 DOI: 10.3866/PKU.WHXB201406091

• 1248Abstract/Metrics
• 1321 PDF(1074KB)

ELECTROCHEMISTRY AND NEW ENERGY

• AMechanistic Study on Semiconductivity Conversion of Passive Films under Varying Sulfate to Chloride Concentration Ratios
• XIA Da-Hai, YANG Li-Xia
• Alloy 800 is an important steamgenerator material used in nuclear power plants, and so there is significant interest in ...
• 2014, 30 (8): 1465 -1473 DOI: 10.3866/PKU.WHXB201405211

• 1293Abstract/Metrics
• 1196 PDF(3517KB)

• One-Step Hydrothermal Preparation and Electrochemical Performance of Graphene/Sulfur Cathode Composites
• LI Qing-Zhou, LI Yu-Hui, LI Ya-Juan, LIU You-Nian
• Reduced graphene oxide/sulfur (RGO/S) composites were synthesized by a one-step hydrothermal method using a mixture of s...
• 2014, 30 (8): 1474 -1480 DOI: 10.3866/PKU.WHXB201406041

• 1449Abstract/Metrics
• 1978 PDF(1093KB)

• Synthesis of Nanostructured LiNi_1/3Co_1/3Mn_1/3O₂ by Ammonia-Evaporation-Induced Synthesis and Its Electrochemical Properties as a Cathode Material for a High-Power Li-Ion Battery
• HUA Wei-Bo, ZHENG Zhuo, LI Long-Yan, GUO Xiao-Dong, LIU Heng, SHEN Chong-Heng, WU Zhen-Guo, ZHONG Ben-He, HUANG Ling
• We report on an ammonia-evaporation-induced synthetic method for nanostructured LiNi1/3Co1/3Mn1/3O2 cathode material. Po...
• 2014, 30 (8): 1481 -1486 DOI: 10.3866/PKU.WHXB201405303

• 1538Abstract/Metrics
• 1327 PDF(936KB)

• Influence of pH Values on the Structure and Performance of a Polypyrrole Counter Electrode for Dye-Sensitized Solar Cells
• SU Jia, LU Shan, WANG Sha-Sha, ZHANG Xue-Hua, FU Yu-Bin, HE Tao
• The pH of the solution used to produce an electro- polymerized polypyrrole (PPy) film has a significant impact on the mo...
• 2014, 30 (8): 1487 -1494 DOI: 10.3866/PKU.WHXB201405272

• 1286Abstract/Metrics
• 957 PDF(1072KB)

• Preparation of a Highly Efficient PbS Electrode and Its Application in Quantum Dots-Sensitized Solar Cells
• ZHANG Jing-Bo, LI Pan, YANG Hui, ZHAO Fei-Yan, TANG Guang-Shi, SUN Li-Na, LIN Yuan
• To improve the light-to-electric conversion efficiency of quantum dots-sensitized nanocrystalline thin-film solar cells,...
• 2014, 30 (8): 1495 -1500 DOI: 10.3866/PKU.WHXB201405051

• 1213Abstract/Metrics
• 980 PDF(631KB)

SOFT MATTER

• Self-Assembly of Vesicles from Oligoaramide Based on Multiple Hydrogen Bonds
• HE You-Zhou, LIU Yun, LIU Peng, FENG Wen, YUAN Li-Hua
• Six-hydrogen-bonded oligoaramide heteroduplexes demonstrate extremely high sequencespecificity and tunable stability dur...
• 2014, 30 (8): 1501 -1508 DOI: 10.3866/PKU.WHXB201406122

• 1246Abstract/Metrics
• 1040 PDF(1564KB)

• Characterization of a Homogeneously Mixed Octyltriethoxyilane/Octadecyltrichlorosilane Self-Assembled Monolayer and Analysis of Its Formation Mechanism
• ZHU Zhi-Wen, XU Guo-Hua, ANYue, HE Chao-Hong
• The wettability, surface topography, surface potential, and degree of order of a homogeneously mixed octyltriethoxysilan...
• 2014, 30 (8): 1509 -1517 DOI: 10.3866/PKU.WHXB201405282

• 1006Abstract/Metrics
• Supporting Info
• 929 PDF(3321KB)

CATALYSIS AND SURFACE SCIENCE

• Benzylation of Naphthalene over a Mesoporous ZSM-5 Zeolite Microsphere Catalyst
• MIAO Hai-Xia, MA Li, MA Jing-Hong, LI Dui-Chun, LI Rui-Feng
• A microspherical ZSM-5 zeolite aggregated from nanosized zeolite crystals with intra- and intercrystalline mesoporous st...
• 2014, 30 (8): 1518 -1526 DOI: 10.3866/PKU.WHXB201405271

• 945Abstract/Metrics
• 981 PDF(1142KB)

• Effect of Support on the Structural Evolution and Catalytic Performance of WO₃-Supported Catalysts in the Synthesis of Adipic Acid
• ZHANG Zhao-Yan, ZHU Quan-Jing, DING Jing, DAI Wei-Lin, ZONG Bao-Ning
• A series of tungsten-based catalysts were synthesized via a traditional impregnation method using SBA-15, hexagonal meso...
• 2014, 30 (8): 1527 -1534 DOI: 10.3866/PKU.WHXB201406121

• 960Abstract/Metrics
• 1113 PDF(851KB)

• Visible Light Photocatalytic Performance of Cu₂O/TiO₂ Nanotube Heterojunction Composites Prepared by Pulse Deposition
• ZHANG Jian-Fang, WANG Yan, SHEN Tian-Kuo, SHU Xia, CUI Jie-Wu, CHEN Zhong, WU Yu-Cheng
• Highly ordered TiO2 nanotube arrays (TNAs) were fabricated by an electrochemical anodization process and Cu2O nanopartic...
• 2014, 30 (8): 1535 -1542 DOI: 10.3866/PKU.WHXB201405221

• 1150Abstract/Metrics
• 1063 PDF(1607KB)

• Microwave-Assisted Solvothermal Synthesis of In-Si Co-Modified TiO₂ Photocatalysts with Enhanced Photocatalytic Activity
• TIAN Hong, WANG Hui-Xiang, SHI Wei-Mei, XU Yao
• In-Si co-modified TiO2 photocatalysts were synthesized via a microwave-assisted solvothermal method. The obtained materi...
• 2014, 30 (8): 1543 -1549 DOI: 10.3866/PKU.WHXB201406161

• 1167Abstract/Metrics
• 893 PDF(742KB)

• NO_x Storage Reduction Performance of Coupled BaFeO_3-x+Cu-ZSM-5 Catalyst
• Lü Jiao-Long, LI Feng-Li, LI Xin-Gang
• A BaFeO3-x+Cu-ZSM-5 coupled catalyst was designed and synthesized to eliminate the NOx emitted from lean-burn exhausts, ...
• 2014, 30 (8): 1550 -1558 DOI: 10.3866/PKU.WHXB201406031

• 992Abstract/Metrics
• 834 PDF(841KB)

• Effects of Two Different CeO₂ Materials on Lean NO_x Trap Performance below 300 ℃
• ZHU Jin-Xin, SHEN Mei-Qing, Lü Liang-Fang, WANG Jun, WANG Jian-Qiang
• The present work investigated the effects of two types of CeO2 materials on the lean NOx trap (LNT) performance over NOx...
• 2014, 30 (8): 1559 -1566 DOI: 10.3866/PKU.WHXB201405283

• 990Abstract/Metrics
• 1069 PDF(818KB)

• Effect of NO₂ on the Selective Catalytic Reduction of NO with NH₃ over Cu/SAPO-34 Molecular Sieve Catalyst
• HAO Teng, WANG Jun, YU Tie, WANG Jian-Qiang, SHEN Mei-Qing
• This study investigated the effects of NO2 on the selective catalytic reduction (SCR) of NO by NH3 over Cu/SAPO-34 catal...
• 2014, 30 (8): 1567 -1574 DOI: 10.3866/PKU.WHXB201405261

• 1249Abstract/Metrics
• 1428 PDF(766KB)

PHOTOCHEMISTRY AND RADIATION CHEMISTRY

• Study on the Photodissociation Mechanism of N₂O⁺ via B²П_i←X²П Transitions
• WU Dan, ZHANG Li-Min, ZHOU Dan-Na
• Photofragment (NO+ and N2+) excitation (PHOFEX) spectra of N2O+ via B2Пi←X2Π transitions was obtained over the w...
• 2014, 30 (8): 1575 -1580 DOI: 10.3866/PKU.WHXB201405202

• 822Abstract/Metrics
• 1037 PDF(710KB)

• Crystal Structure and Radiation Stability of Sr(NO₃)₂·DCH18C6 Complex
• ZHOU Han-Yang, YU Tian-Lin, AO Yin-Yong, PENG Jing, ZHAI Mao-Lin
• Dicyclohexano-18-crown-6 ether (DCH18C6) is an efficient extractant for the removal of 90Sr from liquid radioactive wast...
• 2014, 30 (8): 1581 -1586 DOI: 10.3866/PKU.WHXB201406061

• 1034Abstract/Metrics
• 784 PDF(746KB)

BIOPHYSICAL CHEMISTRY

• Molecular Dynamics Simulations on the Binding of Fullerene to Amyloid-β Oligomers
• ZHOU Xiao-Ying, XI Wen-Hui, WEI Guang-Hong
• We investigated the binding process of fullerene to fibril-like Aβ42 oligomers by performing multiple molecular dyn...
• 2014, 30 (8): 1587 -1596 DOI: 10.3866/PKU.WHXB201405291

• 1064Abstract/Metrics
• 1413 PDF(1559KB)