Table of Contents

• Cover and Table of Contents for Vol.33 No. 6
• 2017, 33 (6): 0.

• 432Abstract/Metrics
• 475 PDF(14108KB)

HIGHLIGHT

• Selective Synthesis of cis-Enediyne on Surface
• Kai WU
• 2017, 33 (6): 1071-1072. DOI: 10.3866/PKU.WHXB201704061

• 572Abstract/Metrics
• 26RichHTML
• 557 PDF(487KB)

• Low Temperature Hydrogen Production from Water/Methanol over Pt/α-MoC Catalysts
• Kai WU
• 2017, 33 (6): 1073-1074. DOI: 10.3866/PKU.WHXB201704122

• 965Abstract/Metrics
• 21RichHTML
• 1060 PDF(815KB)

• Reducing By-Products and Overpotential in Li-O₂ Batteries by Water Addition
• Lin ZHUANG
• 2017, 33 (6): 1075-1076. DOI: 10.3866/PKU.WHXB201704062

• 640Abstract/Metrics
• 14RichHTML
• 564 PDF(608KB)

• Steering On-Surface Reactions with Self-Assembly Strategy
• Zhong-Fan LIU
• 2017, 33 (6): 1077-1078. DOI: 10.3866/PKU.WHXB201704063

• 781Abstract/Metrics
• 17RichHTML
• 632 PDF(444KB)

• Artificial Photosynthetic Framework for Exceptional Solar H₂ Evolution
• Zhong-Fan LIU
• 2017, 33 (6): 1079-1080. DOI: 10.3866/PKU.WHXB201704121

• 712Abstract/Metrics
• 13RichHTML
• 663 PDF(522KB)

• Plasmonic Photoluminescence for Recovering Native Chemical Information from Surface-Enhanced Raman Scattering
• Jin ZHANG
• 2017, 33 (6): 1081-1082. DOI: 10.3866/PKU.WHXB201704073

• 715Abstract/Metrics
• 16RichHTML
• 594 PDF(467KB)

• In situ DNA Assembly on the Surfaces of Nanosized Exosomes Based on Molecular Recognition
• Ting FU,Rui-Zi PENG,Qiao-Ling LIU
• 2017, 33 (6): 1083-1084. DOI: 10.3866/PKU.WHXB201704134

• 1148Abstract/Metrics
• 12RichHTML
• 534 PDF(337KB)

REVIEW

• New Research Progress of the Electrochemical Reaction Mechanism, Preparation and Modification for LiFePO₄
• Ying-Jie ZHANG,Zi-Yi ZHU,Peng DONG,Zhen-Ping QIU,Hui-Xin LIANG,Xue LI
• Lithium-ion batteries have been extensively studied due to their excellent electrochemical performance as an effective e...
• 2017, 33 (6): 1085-1107. DOI: 10.3866/PKU.WHXB201704114

• 1372Abstract/Metrics
• 18RichHTML
• 1731 PDF(6417KB)

ARTICLE

• Statistic Thermodynamic Model of Hydrogen Absorption on Metal Powders
• Guang-Xin WU,Wang-Jun PENG,Jie-Yu ZHANG
• Based on zero-order Bragg-Williams approximation, a new statistic thermodynamic model is presented herein. The distincti...
• 2017, 33 (6): 1108-1113. DOI: 10.3866/PKU.WHXB201703222

• 1023Abstract/Metrics
• 12RichHTML
• 651 PDF(1374KB)

• Design and Application of a Precise Isoperibol Combus-tion-Solution-Reaction Microcalorimeter
• Xu LI,Qiang-Guo LI,Jian-Hong JIANG,Hui-Wen GU,Chuan-Hua LI,Sheng-Xiong XIAO,Xia LI
• The SRC-100 type solution-reaction calorimeter was improved to a more precise and versatile isoperibol combustion-soluti...
• 2017, 33 (6): 1114-1122. DOI: 10.3866/PKU.WHXB201702213

• 1199Abstract/Metrics
• 10RichHTML
• 743 PDF(780KB)

• Preparation and Performance of Supported Bimetallic Catalysts for Hydrogen Production from Ammonia Decomposition by Plasma Catalysis
• Shuai-Qi SUN,Yan-Hui YI,Li WANG,Jia-Liang ZHANG,Hong-Chen GUO
• Bimetallic Fe-Co, Fe-Ni, Mo-Co, and Mo-Ni catalysts, with total metal contents of 10 wt% and bimetallic molar ratios of ...
• 2017, 33 (6): 1123-1129. DOI: 10.3866/PKU.WHXB201703301

• 1721Abstract/Metrics
• 17RichHTML
• 936 PDF(2044KB)

• Fitting and Extrapolation of Configuration Interaction Energies in Complete Active Space
• Jing-Si CAO,Fei-Wu CHEN
• Configuration interaction calculation in complete active space is related to the numbers of active electrons and orbital...
• 2017, 33 (6): 1130-1139. DOI: 10.3866/PKU.WHXB201703221

• 1069Abstract/Metrics
• 10RichHTML
• 778 PDF(2856KB)

• Investigation of the Co-Solvent Effect on the Crystal Morphology of β-HMX using Molecular Dynamics Simulations
• Fang CHEN,Yuan-Yuan LIU,Jian-Long WANG,Ning-Ning Su,Li-Jie LI,Hong-Chun CHEN
• In an attempt to explain the co-solvent effect on the shape of β-HMX crystals, molecular dynamics simulations were appli...
• 2017, 33 (6): 1140-1148. DOI: 10.3866/PKU.WHXB201702242

• 1504Abstract/Metrics
• 17RichHTML
• 921 PDF(1820KB)

• B972-PFD: A High Accuracy Density Functional Method for Dispersion Correction
• Yu HE,Yi-Bo WANG
• A novel DFT-D method, B972-PFD, has been found by combining the B972 hybrid density functional with the empirical disper...
• 2017, 33 (6): 1149-1159. DOI: 10.3866/PKU.WHXB201703291

• 1575Abstract/Metrics
• 16RichHTML
• Supporting Info
• 1064 PDF(5073KB)

• Prediction of Blood-to-Brain Barrier Partitioning of Drugs and Organic Compounds Using a QSPR Approach
• Hassan GOLMOHAMMADI,Zahra DASHTBOZORGI,Sajad KHOOSHECHIN
• The purpose of this study was to develop a quantitative structure-property relationship (QSPR) model based on the enhanc...
• 2017, 33 (6): 1160-1170. DOI: 10.3866/PKU.WHXB201704051

• 782Abstract/Metrics
• 13RichHTML
• Supporting Info
• 1078 PDF(1949KB)

• Density Functional Theory Studies on Ionization Energies, Electron Affinities, and Polarization Energies of Organic Semiconductors
• Zi-Han GUO,Zhu-Bin HU,Zhen-Rong SUN,Hai-Tao SUN
• Accurate prediction of the energy levels (i.e. ionization potential and electronic affinity) of organic semiconductors i...
• 2017, 33 (6): 1171-1180. DOI: 10.3866/PKU.WHXB201704071

• 1534Abstract/Metrics
• 25RichHTML
• Supporting Info
• 1129 PDF(2121KB)

• Structure Characteristic of Titanium Nitride Nanowires and Its Electrode Processes for Ⅴ(Ⅱ)/Ⅴ(Ⅲ) Redox Couple
• Feng-Ming ZHAO,Gang WEN,Li-Yao KONG,You-Qun CHU,Chun-An MA
• Titanium nitride nanowires (TiN NWs) were directly prepared on a Ti foil by a hydrothermal method followed by nitridatio...
• 2017, 33 (6): 1181-1188. DOI: 10.3866/PKU.WHXB201703151

• 1765Abstract/Metrics
• 11RichHTML
• 1052 PDF(2565KB)

• The Effects of Surfactants on Al₂O₃-Modified Li-rich Layered Metal Oxide Cathode Materials for Advanced Li-ion Batteries
• Yong-Ping GAN,Pei-Pei LIN,Hui HUANG,Yang XIA,Chu LIANG,Jun ZHANG,Yi-Shun WANG,Jian-Feng HAN,Cai-Hong ZHOU,Wen-Kui ZHANG
• In this work, a series of Li-rich layered metal oxides (LLMO) as cathode materials for lithium ion batteries were prepar...
• 2017, 33 (6): 1189-1196. DOI: 10.3866/PKU.WHXB201702221

• 1799Abstract/Metrics
• 11RichHTML
• 1011 PDF(3775KB)

• Electrochemical Behavior of MWCNT-Constraint SnS₂ Nanostructure as the Anode for Lithium-Ion Batteries
• Ze-Yu GU,Song GAO,Hao HUANG,Xiao-Zhe JIN,Ai-Min WU,Guo-Zhong CAO
• Multi-walled carbon nanotube constrained SnS2 (SnS2@MWCNT) nanostructure is successfully realized through a facile 2-ste...
• 2017, 33 (6): 1197-1204. DOI: 10.3866/PKU.WHXB201703293

• 1564Abstract/Metrics
• 22RichHTML
• 838 PDF(3163KB)

• Redox-Responsive Interfacial Properties of Se-Containing Sulfobetaine Surfactant
• Wei-Wei KONG,Shuang GUO,Yong-Min ZHANG,Xue-Feng LIU
• Because of good biocompatibility using Se atom as the redox-responsive group has aroused considerable attention. However...
• 2017, 33 (6): 1205-1213. DOI: 10.3866/PKU.WHXB201702222

• 1001Abstract/Metrics
• 11RichHTML
• 715 PDF(2032KB)

• Aggregation Behavior of Double-Chained Anionic Surfactant 1-C_m-C₉-SO₃Na at Air/Liquid Interface: Molecular Dynamics Simulation
• Yi-Jian CHEN,Hong-Tao ZHOU,Ji-Jiang GE,Gui-Ying XU
• The aggregation behavior of the double-chained anionic surfactant 1-alkyl-decyl sodium sulfonate (1-Cm-C9-SO3-Na) at the...
• 2017, 33 (6): 1214-1222. DOI: 10.3866/PKU.WHXB201704075

• 1002Abstract/Metrics
• 10RichHTML
• 736 PDF(2531KB)

• Theoretical Analyses and Chemical Sensing Application of Surface Plasmon Resonance Effect of Nanoporous Gold Films
• Li WANG,Dan-Feng LU,Ran GAO,Jin CHENG,Zhe ZHANG,Zhi-Mei QI
• Nanoporous gold films (NPGFs) are chemically robust and thermally stable, possessing large specific area and salient sur...
• 2017, 33 (6): 1223-1229. DOI: 10.3866/PKU.WHXB201702282

• 1895Abstract/Metrics
• 13RichHTML
• 964 PDF(2319KB)

• Three-Dimensional Graphene-Based Pt-Cu Nanoparticles-Containing Composite as Highly Active and Recyclable Catalyst
• Mei-Song WANG,Pei-Pei ZOU,Yan-Li HUANG,Yuan-Yuan WANG,Li-Yi DAI
• A composite hydrogel consisting of well-dispersed Pt-Cu nanoparticles (NPs) supported on three-dimensional (3D) graphene...
• 2017, 33 (6): 1230-1235. DOI: 10.3866/PKU.WHXB201703311

• 1272Abstract/Metrics
• 13RichHTML
• 677 PDF(2564KB)

• Influencing Mechanism of Cyclohexene on Thiophene Adsorption over CuY Zeolites
• Zhou-Sheng MO,Yu-Cai QIN,Xiao-Tong ZHANG,Lin-Hai DUAN,Li-Juan SONG
• A CuY zeolite prepared by liquid phase ion exchange was characterized by X-ray photoelectron spectroscopy, pyridine in s...
• 2017, 33 (6): 1236-1241. DOI: 10.3866/PKU.WHXB201703281

• 1564Abstract/Metrics
• 16RichHTML
• 781 PDF(1935KB)

• Effects of CeO₂ Addition on Improved NO Oxidation Activities of Pt/SiO₂-Al₂O₃ Diesel Oxidation Catalysts
• Yu-Fen HUANG,Hai-Long ZHANG,Zheng-Zheng YANG,Ming ZHAO,Mu-Lan HUANG,Yan-Li LIANG,Jian-Li WANG,Yao-Qiang CHEN
• The catalytic activities for NO oxidation achieved by different amounts of CeO2-modified Pt/SiO2-Al2O3 catalysts Pt/SiO2...
• 2017, 33 (6): 1242-1252. DOI: 10.3866/PKU.WHXB201703292

• 1301Abstract/Metrics
• 15RichHTML
• 841 PDF(1376KB)

• Synthesis and Properties of a Series of Dinaphthosiloles
• Hong-Mei QU,Ze-Peng CHONG,Xu CHEN,Yi-Can MEN,Hai-Jiao SHEN
• Siloles constitute an important emerging class of photoluminescent materials. A series of compounds consisting of silole...
• 2017, 33 (6): 1253-1260. DOI: 10.3866/PKU.WHXB201702212

• 1082Abstract/Metrics
• 11RichHTML
• 667 PDF(1388KB)

• Perovskite Ferroelectric Nanoplates Induced a Highly Oriented Growth of P (VDF-TrFE) Films
• Jin LIU,Jiang-Quan MAI,Shi LI,Zhao-Hui REN,Ming LI,Meng-Jiao WU,Yong-Jun WU,Xin-Hui LU,Xiang LI,He TIAN,Zong-Rong WANG,Gao-Rong HAN
• Ferroelectric polymers are particularly attractive for applications in flexible electronic devices, and controlling its ...
• 2017, 33 (6): 1261-1266. DOI: 10.3866/PKU.WHXB201702281

• 1940Abstract/Metrics
• 10RichHTML
• Supporting Info
• 755 PDF(3285KB)