Table of Contents

• Cover and Table of Contents for Vol.31 No. 9
• 2015, 31 (9): 0.

• 1018Abstract/Metrics
• 1353 PDF(3941KB)

REVIEW

• Recent Progress in the Removal of Volatile Organic Compounds by Mesoporous Silica Materials and Supported Catalysts
• Xiao-Dong. ZHANG,Yin. WANG,Yi-Qiong. YANG,Dan. CHEN
• Mesoporous silica materials have attracted much attention because of their large surface area, uniform pore-size distrib...
• 2015, 31 (9): 1633-1646. DOI: 10.3866/PKU.WHXB201507281

• 3531Abstract/Metrics
• 33RichHTML
• 3022 PDF(6049KB)

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

• Experimental and Density Functional Theoretical Studies on the Spectra of N, N'-di[3-hydroxy-4-(2-benzothiazole)phenyl]urea
• Ying-Na. CUI,Jing-Mei. YIN,Ying-Ping. JIA,Shen-Min. LI
• The experimental infrared (IR), nuclear magnetic resonance (NMR), and ultraviolet (UV) spectra, and density functional t...
• 2015, 31 (9): 1647-1654. DOI: 10.3866/PKU.WHXB201506182

• 2145Abstract/Metrics
• 17RichHTML
• Supporting Info
• 1567 PDF(2119KB)

• Dynamics of Excited o-Dichlorobenzene
• Xiao-Ying. LI,Li. WANG,Yan-Qiu. WANG,Zhe. SONG,Ben-Kang. LIU
• The dynamics of the first excited singlet electronic state (S1) of o-dichlorobenzene was investigated in real time by th...
• 2015, 31 (9): 1655-1661. DOI: 10.3866/PKU.WHXB201506291

• 1667Abstract/Metrics
• 14RichHTML
• 1200 PDF(4175KB)

• Ultrafast Dynamics of Benzene on the S₂ State Investigated by Femtosecond Time-Resolved Photoelectron Spectroscopy
• Huan. SHEN,Bing. ZHANG
• The ultrafast dynamics of benzene on the S2 state have been investigated by femtosecond time-resolved mass spectroscopy ...
• 2015, 31 (9): 1662-1666. DOI: 10.3866/PKU.WHXB201507061

• 1562Abstract/Metrics
• 16RichHTML
• 732 PDF(13242KB)

THEORETICALAND COMPUTATIONAL CHEMISTRY

• Theoretical Study of the Phosphorescence Spectrum of Tris(2-phenylpyridine)iridium Using the Displaced Harmonic Oscillator Model
• Xiao-Feng. WANG,Guo-Fang. ZUO,Zhi-Feng. LI,Hui-Xue. LI
• We present a comprehensive investigation of the phosphorescence spectrum of Ir(ppy)3 (ppy = 2-phenylpyridine), which is ...
• 2015, 31 (9): 1667-1676. DOI: 10.3866/PKU.WHXB201507092

• 1816Abstract/Metrics
• 14RichHTML
• 1234 PDF(4706KB)

• First-Principles Study of Effect of Strain on the Band Structure of ZnO Monolayer
• Zhi-Gang. WANG,Xiang-Ming. ZENG,Yang. ZHANG,Rao. HUANG,Yu-Hua. WEN
• The effect of strain on the band structure of the ZnO monolayer has been investigated by firstprinciples calculations ba...
• 2015, 31 (9): 1677-1682. DOI: 10.3866/PKU.WHXB201506301

• 2480Abstract/Metrics
• 21RichHTML
• 1501 PDF(2106KB)

• Theoretical Study on the Structures and Magnetic Properties of Metal String Complexes [Ni₃(L)₄(NCS)₂] (L = dpa^-, mpta^-, mdpa^-, mppa^-)
• Rong. CHEN,Wo-Hua. ZHOU,Zi-Wen. WU,Xuan. XU,Zhi-Guang. XU
• Density functional theory at the BP86 level and natural bond orbital theory were used to investigate the influence of br...
• 2015, 31 (9): 1683-1689. DOI: 10.3866/PKU.WHXB201506031

• 1646Abstract/Metrics
• 12RichHTML
• 1271 PDF(8843KB)

• Quantum Chemistry Calculations of Ion Cluster Models of EMIM Ionic Liquids
• Wei. LI,Jing. ZHANG,Chuan-Song. QI
• Different types of 1-ethyl-3-methylimidazolium (EMIM) ionic liquid compounds, including halides, tetrafluoroborate, trib...
• 2015, 31 (9): 1690-1698. DOI: 10.3866/PKU.WHXB201507071

• 2130Abstract/Metrics
• 19RichHTML
• 1343 PDF(3078KB)

• Mechanism and Regioselectivity of Addition Reactions of CH₃OH to Germasilenes
• Xiao-Lan. ZENG,Yan. WANG
• Density functional theory (DFT) calculations of the reaction mechanisms and potential energy surfaces for the addition r...
• 2015, 31 (9): 1699-1707. DOI: 10.3866/PKU.WHXB201507202

• 1762Abstract/Metrics
• 9RichHTML
• Supporting Info
• 1053 PDF(6233KB)

ELECTROCHEMISTRY AND NEW ENERGY

• Electrochemical Nucleation of Au on n-Type Semiconductor Silicon Electrode Surface
• Xiao-Ying. WU,Li-Kun. YANG,Hui. YAN,Fang-Zu. YANG,Zhong-Qun. TIAN,Shao-Min. ZHOU
• Cyclic voltammetry and chronoamperometry have been used to investigate the mechanism of gold electrodeposition on the n-...
• 2015, 31 (9): 1708-1714. DOI: 10.3866/PKU.WHXB201507101

• 1933Abstract/Metrics
• 11RichHTML
• 2057 PDF(4933KB)

• Performance of Nitrogen-Doped Carbon Nanocomposite with Entrapped Enzyme-Based Fuel Cell
• HAYIERBIEK Kulisong,Shu-Xian ZHAO,Yang YANG,Han ZENG
• A nanocomposite composed of N-doped mesoporous carbon material (NDMPC) and carboxymethylated chitosan (CMCH) was fabrica...
• 2015, 31 (9): 1715-1726. DOI: 10.3866/PKU.WHXB201506231

• 2253Abstract/Metrics
• 7RichHTML
• Supporting Info
• 1509 PDF(4599KB)

• Synthesis of PDDA-Decorating MWCNTs Supported Pt Electrocatalysts and Catalytic Properties for Oxygen Reduction Reaction in Alkaline Medium
• Jie. ZHANG,Mei-Ling. DOU,Feng. WANG,Jing-Jun. LIU,Zhi-Lin. LI,Jing. JI,Ye. SONG
• Multi-walled carbon nanotubes (MWCNTs) were modified with the long-chain polymer poly (diallyldimethylammonium chloride)...
• 2015, 31 (9): 1727-1732. DOI: 10.3866/PKU.WHXB201507161

• 2657Abstract/Metrics
• 23RichHTML
• 2028 PDF(6224KB)

SOFT MATTER

• Orientational Transitions of Liquid Crystal Driven by Hydrogen-Bond Interaction at the Liquid Crystal-Aqueous Interface
• Zhi-Jian. LIAO,Zhen-Li. QIN,Si-Nan. DU,Si-Yu. LI,Guan-Hou. CHEN,Fang. ZUO,Jian-Bin. LUO
• In this paper, an orientational anchoring transition of the thermotropic nematic liquid crystal (LC) (4-cyano-4'-pentylb...
• 2015, 31 (9): 1733-1740. DOI: 10.3866/PKU.WHXB201508101

• 2094Abstract/Metrics
• 20RichHTML
• 1090 PDF(22140KB)

CATALYSIS AND SURFACE SCIENCE

• Formation Mechanism of the H-terminated Diamond Surface
• Jin-Long. LIU,Sheng. LIU,Jian-Chao. GUO,Chen-Yi. HUA,Liang-Xian. CHEN,Jun-Jun. WEI,Li-Fu. HEI,Jing-Jing. WANG,Zhi-Hong. FENG,Qing. LIU,Cheng-Ming. LI
• Microwave hydrogen plasma was used to introduce hydrogen termination on the diamond surface. Optical emission spectrosco...
• 2015, 31 (9): 1741-1746. DOI: 10.3866/PKU.WHXB201508031

• 2264Abstract/Metrics
• 9RichHTML
• 1409 PDF(2170KB)

• Effect of the Carbon Precursor on the Design of Perfluorosulfonic Acid Functionalized Carbon Catalysts
• Cui-Can. LI,Meng-Xiao. ZHANG,Wei-Ming. HUA,Ying-Hong. YUE,Zi. GAO
• Perfluorosulfonic acid functionalized carbon-based solid acid catalysts were prepared by liquid deposition of perfluoros...
• 2015, 31 (9): 1747-1752. DOI: 10.3866/PKU.WHXB201506012

• 1691Abstract/Metrics
• 9RichHTML
• 1100 PDF(5795KB)

• Performance of CO Oxidation over Highly Dispersed Gold Catalyst on TiO_x/SiO₂ Composite Supports
• Xiao-Kun. LI,Dong-Dong. MA,Yan-Ping. ZHENG,Hong. ZHANG,Ding. DING,Ming-Shu. CHEN,Hui-Lin. WAN
• Supports have a significant effect on the dispersion and stability of Au nanoparticles because of the support-metal inte...
• 2015, 31 (9): 1753-1760. DOI: 10.3866/PKU.WHXB201507091

• 2257Abstract/Metrics
• 17RichHTML
• 1498 PDF(6075KB)

• Effect of Cu Loading on the Structure and Catalytic Performance of the LNT Catalyst CuO-K₂CO₃/TiO₂
• Feng-Qi. FAN,Ming. MENG,Ye. TIAN,Li-Rong. ZHENG,Jing. ZHANG,Tian-Dou. HU
• A series of non-platinic lean NOx trap (LNT) CuO-K2CO3/TiO2 catalysts with different Cu loadings were prepared by sequen...
• 2015, 31 (9): 1761-1770. DOI: 10.3866/PKU.WHXB201507291

• 2482Abstract/Metrics
• 13RichHTML
• 916 PDF(10471KB)

• Effects of Zr Addition on the Performance of the Pd-Pt/Al₂O₃ Catalyst for Lean-Burn Natural Gas Vehicle Exhaust Purification
• Wei. HU,Yun. WANG,Hong-Yan. SHANG,Hai-Di. XU,Lin. ZHONG,Jian-Jun. CHEN,Mao-Chu. GONG,Yao-Qiang. CHEN
• The catalytic activity, hydrothermal aging resistance, and sulfur tolerance of a Pd-Pt-based methane oxidation catalyst ...
• 2015, 31 (9): 1771-1779. DOI: 10.3866/PKU.WHXB201507141

• 1923Abstract/Metrics
• 12RichHTML
• 1322 PDF(4530KB)

PHOTOCHEMISTRY AND RADIATION CHEMISTRY

• MgF₂ Modified Alq₃ Nanocomposite: Synthesis and Improvement of Anti-Aging Performance of OLED
• Wan-Li. LI,Xiao-Yun. LIU,Yan-Qin. MIAO,Jun-Li. YANG,Cong-Ling. WU,Yuan-Hao. LI,Kun-Peng. GUO,Hua. WANG,Bing-She. XU
• From the viewpoint of practical application, enhancing the stability and lifetime of organic lightemitting diodes (OLED)...
• 2015, 31 (9): 1780-1786. DOI: 10.3866/PKU.WHXB201507151

• 1796Abstract/Metrics
• 10RichHTML
• 1435 PDF(9019KB)

• Fluorescence Quenching of Eosin Y by Tyrosine
• Jing-Dong. WANG,Shuang. LI,Rong. LÜ,An-Chi. YU
• Quenching of a fluorescent probe by amino acid residues can provide valuable information about the structural and confor...
• 2015, 31 (9): 1787-1794. DOI: 10.3866/PKU.WHXB201507241

• 2247Abstract/Metrics
• 9RichHTML
• 1313 PDF(1069KB)

BIOPHYSICAL CHEMISTRY

• Predicting and Virtually Screening Breast Cancer Targeting Protein HEC1 Inhibitors by Molecular Descriptors and Machine Learning Methods
• Bing. HE,Yong. LUO,Bing-Ke. LI,Ying. XUE,Luo-Ting. YU,Xiao-Long. QIU,Teng-Kuei. YANG
• Highly expressed in cancer 1 (HEC1) is a conserved mitotic regulator that is critical for spindle checkpoint control, ki...
• 2015, 31 (9): 1795-1802. DOI: 10.3866/PKU.WHXB201507301

• 2555Abstract/Metrics
• 20RichHTML
• Supporting Info
• 1519 PDF(2142KB)

• F₁-ATPase Stabilizes and Positions Adenosine Triphosphate Revealed by Molecular Dynamics Simulations
• Shao-Gui. WU,Xiao-Tong. GAO,Quan. LI,Jie. LIAO,Cheng-Gang. XU
• F1-ATPase makes extensive interactions with ATP through forming a network of interactions around ATP. These interactions...
• 2015, 31 (9): 1803-1809. DOI: 10.3866/PKU.WHXB201508062

• 1937Abstract/Metrics
• 9RichHTML
• Supporting Info
• 1128 PDF(3701KB)

PHYSICAL CHEMISTRY OF MATERIALS

• Simulation of the Immobilization of Pu in the Gd₂Zr₂O₇ Matrix by Investigating the Thermophysical Properties of (Gd_1-xCe_x)₂Zr₂O_7+x
• Xiang-Lai. XIA,Lin-Yan. LI,Fang. GUO,Wei. SU,Yan. LIU,Xiao-Mou. CHEN,She-Qi. PAN
• Polycrystalline samples of (Gd1-xCex)2Zr2O7+x (0 ≤ x ≤ 0.7) were synthesized by solid-state reaction using NaF as a flux...
• 2015, 31 (9): 1810-1814. DOI: 10.3866/PKU.WHXB201507203

• 1835Abstract/Metrics
• 8RichHTML
• 1282 PDF(1024KB)

• Fast Adsorption Removal of Congo Red on Hierarchically Porous γ-Al₂O₃ Hollow Microspheres Prepared by Microwave-Assisted Hydrothermal Method
• Long-Hui. NIE,Qiao. TAN,Wei. ZHU,Qi. WEI,Zhi-Kui. LIN
• Hierarchical nanostructured γ-Al2O3 hollow microspheres were synthesized from KAl(SO4)2 and urea precursors by the micro...
• 2015, 31 (9): 1815-1822. DOI: 10.3866/PKU.WHXB201507201

• 1745Abstract/Metrics
• 10RichHTML
• 1118 PDF(11948KB)