Table of Contents

• Cover and Table of Contents for Vol.31 No. 11
• 2015, 31 (11): 0

• 455Abstract/Metrics
• 973 PDF(4155KB)

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

• Simulation of Surface Plasmon Coupled Emission with Silver Film
• Chen. CHEN,Dan-Feng. LU,Jin. CHENG,Zhi-Mei. QI
• Surface plasmon coupled emission (SPCE) is a physical process opposite to conventional surface plasmon resonance (SPR) w...
• 2015, 31 (11): 2023 -2028 DOI: 10.3866/PKU.WHXB201509182

• 1430Abstract/Metrics
• 5RichHTML
• 1109 PDF(3011KB)

• Laser-Induced Fluorescence Spectra of the Photolyzed Products of C₂H₅SSC₂H₅ by 266 nm Laser
• Hai-Yan. HAO,Zhen. LIU,Li-Li. ZU
• Organic sulfides are an atmospheric pollutant that photolyze in the atmosphere, causing additional pollution. The S―S bo...
• 2015, 31 (11): 2029 -2035 DOI: 10.3866/PKU.WHXB201509231

• 1067Abstract/Metrics
• 3RichHTML
• Supporting Info
• 905 PDF(2998KB)

• Study on Thermodynamic Properties of Ionic Liquid 1-Ethyl-3-methylimidazolium Alanine
• Ling. ZHENG,Ben-Han. FAN,Xiao-Xue. BU,Yi. PAN,Jia-Xin. DONG,Wei. GUAN
• We synthesized the alanine-based ionic liquid [C2mim][Ala] (1-ethyl-3-methylimidazolium alanine) by using the neutraliza...
• 2015, 31 (11): 2036 -2042 DOI: 10.3866/PKU.WHXB201509111

• 1028Abstract/Metrics
• 2RichHTML
• Supporting Info
• 957 PDF(982KB)

• Determination of Iron Liposome/Water Partition Coefficients and Identification of Influencing Factors
• Ni-Na. LI,Li-Na. GENG,Lin. WANG,Lin-Lin. YUAN,Yan-Zhong. CHANG,Jian-Jun. ZHANG
• Ferric citrate liposomes (FAC-Lip) and heme liposomes (Heme-Lip) were successfully prepared by a rotary-evaporated film-...
• 2015, 31 (11): 2043 -2048 DOI: 10.3866/PKU.WHXB201509141

• 974Abstract/Metrics
• 1RichHTML
• 884 PDF(971KB)

• Crystal Structure and Thermal Decomposition Kinetics of Byproduct of Synthesis of RDX: 3, 5-Dinitro-1-oxygen-3, 5-diazacyclohexane
• Jing. LI,Li-Zhen. CHEN,Jian-Long. WANG,Guan-Chao. LAN,Huan. HOU,Man. LI
• A new cyclic byproduct was formed during hexahydro-1, 3, 5-trinitro-1, 3, 5-triazine (RDX) preparation by direct nitrati...
• 2015, 31 (11): 2049 -2056 DOI: 10.3866/PKU.WHXB201510092

• 1868Abstract/Metrics
• 4RichHTML
• 1006 PDF(1896KB)

THEORETICALAND COMPUTATIONAL CHEMISTRY

• Rényi Entropy, Tsallis Entropy and Onicescu Information Energy in Density Functional Reactivity Theory
• Shu-Bin. LIU,Chun-Ying. RONG,Ze-Min. WU,Tian. LU
• Density functional theory dictates that the electron density determines everything in a molecular system's ground state,...
• 2015, 31 (11): 2057 -2063 DOI: 10.3866/PKU.WHXB201509183

• 2384Abstract/Metrics
• 5RichHTML
• 1291 PDF(446KB)

• Computation of Electron Affinities with the Second Order Multireference Perturbation Theory
• Zhi-Hui. FAN,Fei-Wu. CHEN
• Electron affinities of F, Cl, OH, SH, CN, CH2, and NH2 have been computed with the second order multireference perturbat...
• 2015, 31 (11): 2064 -2076 DOI: 10.3866/PKU.WHXB201508201

• 1092Abstract/Metrics
• 1RichHTML
• 664 PDF(390KB)

• Application of the Multi-Center Partition Method to Construct the Potential Energy Surface of H₃
• Wei. DAI,Liu-Yang. CHEN,Li-Min. ZHENG,Ming-Hui. YANG
• The potential energy surface plays an important role in studying molecular reaction dynamics. In this work, a new method...
• 2015, 31 (11): 2077 -2082 DOI: 10.3866/PKU.WHXB201509143

• 1005Abstract/Metrics
• 3RichHTML
• 773 PDF(1683KB)

• First-Principles Calculations of Electronic Properties of Defective Armchair MoS₂ Nanoribbons
• Yan. SHAO,Fang-Ping. OUYANG,Sheng-Lin. PENG,Qi. LIU,Zhi-An. JIA,Hui. ZOU
• We investigated the electronic properties of armchair MoS2 nanoribbons with vacancy defects using a first-principles met...
• 2015, 31 (11): 2083 -2090 DOI: 10.3866/PKU.WHXB201510132

• 1437Abstract/Metrics
• 4RichHTML
• 1165 PDF(7994KB)

• Molecular Dynamics Simulation of Pd Clusters Deposited on Pd/Ag Substrates
• Kun. WANG,Juan-Fang. LIU,Qing-Hua. CHEN
• Using molecular dynamics simulations, we investigated the microscopic processes of large palladium clusters deposited on...
• 2015, 31 (11): 2091 -2098 DOI: 10.3866/PKU.WHXB201509153

• 878Abstract/Metrics
• 3RichHTML
• 894 PDF(14988KB)

ELECTROCHEMISTRY AND NEW ENERGY

• Preparation of Cross-Linked Porous Carbon Nanofiber Networks by Electrospinning Method and Their Electrochemical Capacitive Behaviors
• Jian-Jian. LU,Zong-Rong. YING,Xin-Dong. LIU,Shuang-Sheng. ZHAO
• Cross-linked porous carbon nanofiber networks were successfully prepared by electrospinning followed by preoxidation and...
• 2015, 31 (11): 2099 -2108 DOI: 10.3866/PKU.WHXB201510081

• 1900Abstract/Metrics
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• 1585 PDF(7772KB)

• Photoelectrochemical Properties of Hierarchical ZnO Nanosheets Micro-Nanostructure Modified with Sb₂S₃ Nanoparticles
• Yan-Zhong. HAO,Zhi-Min. GUO,Bao. SUN,Juan. PEI,Shang-Xin. WANG,Ying-Pin. LI
• We fabricated highly ordered ZnO nanosheet arrays on ITO substrates by adding KCl and ethylenediamine(EDA) through poten...
• 2015, 31 (11): 2109 -2116 DOI: 10.3866/PKU.WHXB201509151

• 1144Abstract/Metrics
• 4RichHTML
• 1004 PDF(9593KB)

• One-Step Synthesis of Reduced Graphene Oxide supported Pt Nanoparticles and Its Electrocatalytic Activity for Methanol Oxidation
• Hai-Li. GAO,Xiao-Long. LI,Wei. HE,Rui-Ting. GUO,Bo. CHAI
• In this study, graphite oxide was prepared from natural graphite powder using a modified Hummers method. Well-dispersed ...
• 2015, 31 (11): 2117 -2123 DOI: 10.3866/PKU.WHXB201509181

• 1669Abstract/Metrics
• 11RichHTML
• 1338 PDF(8907KB)

SOFT MATTER

• Effect of TBAB/KCl on Constructing Anionic Wormlike Micelles
• Yi-Xiu. HAN,Hong. ZHOU,Yong-Qiang. WEI,Yong-Jun. MEI,Hang. WANG
• Using rheological measurements, we investigated the wormlike micelles formed by anionic surfactants, sodium oleate (NaOA...
• 2015, 31 (11): 2124 -2130 DOI: 10.3866/PKU.WHXB201509112

• 1056Abstract/Metrics
• 4RichHTML
• 853 PDF(3482KB)

CATALYSIS AND SURFACE SCIENCE

• Preparation and Application of Pt-Ni Catalysts supported on Cobalt-Polypyrrole-Carbon for Fuel Cells
• Mei-Ni. YANG,Rui. LIN,Ren-Jie. FAN,Tian-Tian. ZHAO,Hao. ZENG
• By using pulse-microwave assisted chemical reduction, we prepared a Pt-Ni alloy supported on a cobalt-polypyrrole-carbon...
• 2015, 31 (11): 2131 -2138 DOI: 10.3866/PKU.WHXB201509171

• 1269Abstract/Metrics
• 1RichHTML
• 1285 PDF(6726KB)

• ZSM-5 Zeolite with Micro-Mesoporous Structures Synthesized Using Different Templates for Methanol to Propylene Reaction
• Lan-Lan. ZHANG,Yu. SONG,Guo-Dong. LI,Shao-Long. ZHANG,Yun-Shan. SHANG,Yan-Jun. GONG
• ZSM-5 zeolites with different pore structures were synthesized using different templates (tetrapropyl ammonium hydroxide...
• 2015, 31 (11): 2139 -2150 DOI: 10.3866/PKU.WHXB201509281

• 1844Abstract/Metrics
• 2RichHTML
• 1252 PDF(8750KB)

• Growth, Electronic Structure and Thermal Stability of Ni on ZrO₂(111) Thin Film Surfaces
• Yong. HAN,Qian. XU,Huan-Xin. JU,Jun-Fa. ZHU
• The growth mode, electronic structure, and thermal stability of Ni nanoparticles on thin ZrO2(111) film surfaces were in...
• 2015, 31 (11): 2151 -2157 DOI: 10.3866/PKU.WHXB201510083

• 1251Abstract/Metrics
• 3RichHTML
• 1183 PDF(2924KB)

• Improvement of Adsorptive Separation Performance for C₂H₄/C₂H₆ Mixture by CeO₂ Promoted CuCl/Activated Carbon Adsorbents
• Jian-Dong. XING,Fang-Li. JING,Wei. CHU,Hong-Li. SUN,Lei. YU,Huan. ZHANG,Shi-Zhong. LUO
• CeO2 promoted CuCl/activated carbon (AC) adsorbents were prepared using an incipient wetness impregnation method, and ch...
• 2015, 31 (11): 2158 -2164 DOI: 10.3866/PKU.WHXB201510091

• 955Abstract/Metrics
• 6RichHTML
• 1139 PDF(6321KB)

• Cu-SSZ-13 Catalyst Synthesized under Microwave Irradiation and Its Performance in Catalytic Removal of NO_x from Vehicle Exhaust
• Hua-Feng. YU,Guo-Pei. ZHANG,Li-Na. HAN,Li-Ping. CHANG,Wei-Ren. BAO,Jian-Cheng. WANG
• Cu-SSZ-13 catalysts had been prepared by using a microwave irradiation (MW) method and a conventional hydrothermal (CH) ...
• 2015, 31 (11): 2165 -2173 DOI: 10.3866/PKU.WHXB201509184

• 1295Abstract/Metrics
• 3RichHTML
• 1355 PDF(1597KB)

PHOTOCHEMISTRY AND RADIATION CHEMISTRY

• Photoelectric Properties of Novel Amide-Functionalized Ir(III) Complexes
• Wei. SHEN,Wen-Wen. TIAN,Zheng-Jian. QI,Yue-Ming. SUN
• A series of luminescent cyclometalated Ir(III) complexes functionalized with amide derivatives were prepared and compare...
• 2015, 31 (11): 2174 -2182 DOI: 10.3866/PKU.WHXB201510084

• 939Abstract/Metrics
• 0RichHTML
• Supporting Info
• 797 PDF(7187KB)

• Strong Single-Band Down-Conversion Emission in Tm³⁺-Doped NaYF₄ Microparticles
• Chun-Long. XU,Jin-Guo. WANG,Xiang-Yu. ZHANG
• We synthesized Tm3+-doped NaYF4 microcrystals with various length-to-diameter ratios by using a facile hydrothermal meth...
• 2015, 31 (11): 2183 -2190 DOI: 10.3866/PKU.WHXB201509142

• 1110Abstract/Metrics
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• 1252 PDF(7912KB)

BIOPHYSICAL CHEMISTRY

• Accurate Activity Predictions of B-Raf Type II Inhibitors via Molecular Docking and QSAR Methods
• Hai-Chun. LIU,Shuai. LU,Ting. RAN,Yan-Min. ZHANG,Jin-Xing. XU,Xiao. XIONG,An-Yang. XU,Tao. LU,Ya-Dong. CHEN
• B-Raf kinase plays an important role in the mitogen-activated protein kinase (MAPK) signaling transmission pathway and h...
• 2015, 31 (11): 2191 -2206 DOI: 10.3866/PKU.WHXB201510134

• 1305Abstract/Metrics
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• 1728 PDF(4402KB)

PHYSICAL CHEMISTRY OF MATERIALS

• Finely Controlling the Diameter of the TiO₂ Nanowire Array by Micelles in the Reversed Micelle Reaction under Hydrothermal Condition
• Jie. YANG,Yu-He. LI,Hai-Long. HU
• We establish a model for growing titania nanowires arrays (TNAs) within micelles on the hydrophilic substrate of fluorin...
• 2015, 31 (11): 2207 -2212 DOI: 10.3866/PKU.WHXB201509152

• 1184Abstract/Metrics
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• 851 PDF(10592KB)

• Preparation and Optimization of Vertically Arrayed Zinc Oxide Nanorods
• Juan. MA,Feng-Dan. SONG,Ze-Qi. ZHOU,Sui-Tao. QI,Chun-Hai. YI,Bo-Lun. YANG
• A two-step method for growing vertical zinc oxide nanorod arrays on indium tin oxide (ITO)-coated glass substrates is pr...
• 2015, 31 (11): 2213 -2219 DOI: 10.3866/PKU.WHXB201509301

• 1048Abstract/Metrics
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• 779 PDF(18537KB)

• Preparation and Supercapacitor Properties of Carbon-Coated SnO₂ Hollow Fibers
• Xiao-Mei. HAN,Yan-Bo. WU,Heng-Yan. ZHAO,Jun. BI,Bin-Bin. WEI
• A new carbon-coated SnO2 hollow fiber was successfully prepared by coaxial electrospinning, and its supercapacitor prope...
• 2015, 31 (11): 2220 -2228 DOI: 10.3866/PKU.WHXB201510131

• 1331Abstract/Metrics
• 1RichHTML
• 1472 PDF(3933KB)