Table of Contents

• Cover and Table of Contents for Vol.29 No. 9
• 2013, 29 (09): 0

• 588Abstract/Metrics
• 1986 PDF(6641KB)

COMMUNICATION

• Synthesis of Ternary Hybrid TiO₂-SiO₂-POM Catalysts and Its Application in Degrading Rhodamine B under Visible Light Illumination
• WANG Xiao-Xia, XU Hua-Long, SHEN Wei, RUHLMANN Laurent, QIN Feng, SORGUES Sébastien, COLBEAU-JUSTIN Christophe
• Ternary hybrid TiO2-SiO2-polyoxometalates (POMs) synthesized by stepped sol-gel method exhibit remarkable efficiency in ...
• 2013, 29 (09): 1837 -1841 DOI: 10.3866/PKU.WHXB201307024

• 1606Abstract/Metrics
• Supporting Info
• 1652 PDF(1092KB)

REVIEW

• Research Progress of the Trp-Cage Formation and Its Folding Mechanism
• WU Xiao-Min, YUAN Xiao-Hui, XUE Shu-Lei, ZHA Ling-Sheng, WANG Guang-Li, ZHANG Hai-Jun
• Protein folding is considered one of the most important topics in structural biology. An in-depth understanding of the f...
• 2013, 29 (09): 1842 -1850 DOI: 10.3866/PKU.WHXB201307011

• 1618Abstract/Metrics
• 1763 PDF(941KB)

• TiO₂/Dye/Electrolyte Interface Modification for Dye-Sensitized Solar Cells
• LI Jing-Zhe, KONG Fan-Tai, WU Guo-Hua, HUANG Yang, CHEN Wang-Chao, DAI Song-Yuan
• Dye-sensitized solar cell (DSC), a new type of solar cell, have attracted widespread attention since they were first rep...
• 2013, 29 (09): 1851 -1864 DOI: 10.3866/PKU.WHXB201306172

• 1654Abstract/Metrics
• 1835 PDF(1156KB)

• Chemical Synthesis and Applications of Graphitic Carbon Nitride
• ZHANG Jin-Shui, WANG Bo, WANG Xin-Chen
• Recently, polymeric semiconductor graphitic carbon nitride (g-C3N4) has been widely used in fields related to energy and...
• 2013, 29 (09): 1865 -1876 DOI: 10.3866/PKU.WHXB201306173

• 6962Abstract/Metrics
• 7011 PDF(2497KB)

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

• Molecular Recognition of Glycoconjugated Porphyrin with Chiral Amino Acid Methyl Ester
• YANG Le-Le, LIU Jia, LI Yue, LIU Kun, RUAN Wen-Juan
• Three atropisomeric tetrasaccharide-substituted zinc porphyrins (αβαβ-Zn-A, ααβ&b...
• 2013, 29 (09): 1877 -1885 DOI: 10.3866/PKU.WHXB201306143

• 1314Abstract/Metrics
• 1085 PDF(730KB)

• Photodissociation Dynamics of Carbonyl Sulfide in Helium Droplets
• ZHANG Cui-Mei, ZHANG Zhi-Guo, HUANG Cun-Shun, ZHANG Qun, CHEN Yang
• The photodissociation dynamics of carbonyl sulfide (OCS) in helium droplets was studied using a velocity-map-imaging tec...
• 2013, 29 (09): 1886 -1890 DOI: 10.3866/PKU.WHXB201306191

• 901Abstract/Metrics
• 801 PDF(545KB)

• Evaluation of the Application of Hydrogen Bonding Criteria to DMSO Aqueous Solution
• ZHANG Ning, LI Wei-Zhong, CHEN Cong, ZUO Jian-Guo
• Geometric and energetic criteria have been used to analyze the hydrogen bonding statistics and dynamics of aqueous solut...
• 2013, 29 (09): 1891 -1899 DOI: 10.3866/PKU.WHXB201307121

• 1763Abstract/Metrics
• 1206 PDF(1096KB)

THEORETICAL AND COMPUTATIONAL CHEMISTRY

• Study of Hydrogen Adsorption on Pt and Pt-Based Bimetallic Surfaces by Density Functional Theory
• GAO Zi-Feng, CHEN Hao, QI Sui-Tao, YI Chun-Hai, YANG Bo-Lun
• The surface energies and surface relaxation of Pt(100), (110), and (111) surfaces, as well as the hydrogen adsorption be...
• 2013, 29 (09): 1900 -1906 DOI: 10.3866/PKU.WHXB201307021

• 2259Abstract/Metrics
• 2744 PDF(914KB)

• Density Functional Theory Study on the Adsorption of Dodecylthiol on Au(111) Surface
• FAN Xiao-Li, RAN Run-Xin, ZHANG Chao, YANG Yong-Liang
• By applying the first-principles methods based on density functional theory and the slab model, we have studied the non-...
• 2013, 29 (09): 1907 -1915 DOI: 10.3866/PKU.WHXB201307022

• 1781Abstract/Metrics
• 1285 PDF(2055KB)

• Adsorption and Decarbonylation Reaction of Furfural on Pt(111) Surface
• NI Zhe-Ming, XIA Ming-Yu, SHI Wei, QIAN Ping-Ping
• The reaction mechanismof furan formation during decarbonylation of furfural on the Pt(111) plane was investigated by den...
• 2013, 29 (09): 1916 -1922 DOI: 10.3866/PKU.WHXB201307101

• 1874Abstract/Metrics
• 1288 PDF(1924KB)

• Hydrolysis Reaction Mechanismof 2, 4-Dichlorophenoxy Acetic Acid Metabolism
• LI Jia, XU Wen-Li, HU Jing, LING Min, YAO Jian-Hua
• 2,4-Dichlorophenoxy acetic acid (2,4-D) is a herbicide and plant growth regulator that is widely applied inagriculture.M...
• 2013, 29 (09): 1923 -1930 DOI: 10.3866/PKU.WHXB201306281

• 2730Abstract/Metrics
• Supporting Info
• 1564 PDF(2533KB)

• Molecular Dynamics Simulation of a Nanosized Device
• SUN Wei, ZHANG Jin-Jiang, ZHAO Jian-Wei
• Molecular dynamics (MD) simulations have been widely used for molecular systems; however, it is difficult to simulate na...
• 2013, 29 (09): 1931 -1936 DOI: 10.3866/PKU.WHXB201305311

• 1357Abstract/Metrics
• 1016 PDF(1103KB)

• Radicals Created fromthe Reactions of 2’-Deoxyadenosine-5’-monophosphate with Hydroxyl Radical
• HOU Ruo-Bing, TANG Zong-Xiang, FAN You-Jun, YI Xiang-Hui, WANG Bei-Bei, SUN Yan-Li
• The radicals generated fromreactions of 2'-deoxyadenosine-5'-monophosphate (dAMP) with an HO· radical were studie...
• 2013, 29 (09): 1937 -1944 DOI: 10.3866/PKU.WHXB201307023

• 1191Abstract/Metrics
• Supporting Info
• 1103 PDF(883KB)

• Prediction of HLA-A^*0201 Restricted Cytotoxic T Lymphocyte Epitopes Based on High-Dimensional Descriptor Nonlinear Screening
• HAN Na, YUAN Zhe-Ming, CHEN Yuan, DAI Zhi-Jun, WANG Zhi-Ming
• Determining highly active epitopes of the cytotoxic T lymphocyte (CTL) is essential for the computational design of pept...
• 2013, 29 (09): 1945 -1953 DOI: 10.3866/PKU.WHXB201306182

• 918Abstract/Metrics
• 857 PDF(652KB)

ELECTROCHEMISTRY AND NEW ENERGY

• Influence of the Potential on the Charge-Transfer Rate Constant of Photooxidation of Water over α-Fe₂O₃ and Ti-Doped α-Fe₂O₃
• SHANGGUAN Peng-Peng, TONG Shao-Ping, LI Hai-Li, LENG Wen-Hua
• It has been reported that applying a certain external anodic potential over un-doped (α-Fe2O3) and Ti-doped &alpha...
• 2013, 29 (09): 1954 -1960 DOI: 10.3866/PKU.WHXB201306261

• 1511Abstract/Metrics
• 1413 PDF(1142KB)

• Numerical Simulation of Discharge Process and Failure Mechanisms of Zinc Electrode
• SONG Hui, XU Xian-Zhi, LI Fen
• Zinc-air battery is a high-power electrochemical system. Experimental data indicate that material usage decreases signif...
• 2013, 29 (09): 1961 -1974 DOI: 10.3866/PKU.WHXB201306144

• 1108Abstract/Metrics
• 1273 PDF(1985KB)

• Increasing Specific Surface Area of (110)-Oriented ZnO Nanosheets by Sulfuration-Oxidization Treatment for Photoelectrode Applications
• WEI Yu-Long, BAO Chun-Xiong, GAO Hao, HUANG Huan, YU Tao, ZOU Zhi-Gang
• To increase the specific surface area of ZnOnanosheets, a sulfuration and oxidization treatment was introduced. First, Z...
• 2013, 29 (09): 1975 -1980 DOI: 10.3866/PKU.WHXB201306212

• 1336Abstract/Metrics
• 1212 PDF(1281KB)

• Hierarchically Porous Carbon/DMcT/PEDOT-PSS Ternary Composite as a Cathode Material for Lithium-Ion Battery
• CHI Ting-Yu, LI Han, WANG Geng-Chao
• Activated hierarchically porous carbon (aHPC) was fabricated by calcination, etching and KOH activation using phenol-for...
• 2013, 29 (09): 1981 -1988 DOI: 10.3866/PKU.WHXB201306272

• 3277Abstract/Metrics
• 1232 PDF(1079KB)

• Synthesis of Na₂MnPO₄F/C with Different Carbon Sources and Their Performances as Cathode for Lithium Ion Battery
• ZHONG Yan-Jun, LI Jun-Tao, WU Zhen-Guo, ZHONG Ben-He, GUO Xiao-Dong, HUANG Ling, SUN Shi-Gang
• Na2MnPO4F/C composites were synthesized by wet ball milling and in situ pyrolytic carbon coating. Stearic acid, citric a...
• 2013, 29 (09): 1989 -1997 DOI: 10.3866/PKU.WHXB201306181

• 5756Abstract/Metrics
• 1716 PDF(2451KB)

• Organic Electrolytes for Activated Carbon-Based Supercapacitors with Flexible Package
• HUANG Bo, SUN Xian-Zhong, ZHANG Xiong, ZHANG Da-Cheng, MA Yan-Wei
• We fabricated activated carbon (AC)-based supercapacitors encased in flexible packaging using a novel organic electrolyt...
• 2013, 29 (09): 1998 -2004 DOI: 10.3866/PKU.WHXB201307031

• 2037Abstract/Metrics
• 2344 PDF(792KB)

SOFT MATTER

• Synthesis and Gelation Properties of Cholesterol-Based New Low-Molecular-Mass Gelators
• XUE Min, MIAO Qing, FANG Yu
• Three novel dimeric cholesteryl-based low-molecular-mass gelators (LMMGs), which have the structure A(LS)2, were designe...
• 2013, 29 (09): 2005 -2012 DOI: 10.3866/PKU.WHXB201306142

• 1333Abstract/Metrics
• 1215 PDF(2530KB)

• Impact of the Addition of Gum Arabic on the Interface Dilational Properties of Gemini Surfactants
• XIONG Ke-Jie, SHU Zhan-Xia, NIE Hai-Yu, DU Feng-Pei
• We studied the impact of the addition of Gum Arabic on the dilational properties of Gemini surfactants. The investigatio...
• 2013, 29 (09): 2013 -2018 DOI: 10.3866/PKU.WHXB201306283

• 1284Abstract/Metrics
• 1077 PDF(603KB)

CATALYSIS AND SURFACE SCIENCE

• Adsorption of Co(Ⅱ) and Ni(Ⅱ) on Beishan Granite：Surface Complexation Model and Linear Free Energy Relationship
• CHEN Zong-Yuan, ZHANG Rui, YANG Xing-Long, WU Wang-Suo, GUO Zhi-Jun, LIU Chun-Li
• The adsorption of Co(Ⅱ) and Ni(Ⅱ) on crushed Beishan granite (BS03, 600 m) was studied by a batch experimental method. T...
• 2013, 29 (09): 2019 -2026 DOI: 10.3866/PKU.WHXB201306271

• 1631Abstract/Metrics
• 1134 PDF(971KB)

• Effects of Ammonia and Amines on Heterogeneous Oxidation of Carbonyl Sulfide on Hematite
• ZHANG Shuan-Qin, KONG Ling-Dong, ZHAO Xi, Roel JANSEN, CHEN Jian-Min
• The heterogeneous oxidation of carbonyl sulfide (COS) on hematite pre-adsorbed with ammonia and methylamine, trimethylam...
• 2013, 29 (09): 2027 -2034 DOI: 10.3866/PKU.WHXB201306171

• 1668Abstract/Metrics
• 949 PDF(905KB)

• Synthesis and Characterization of Nanosheet ZSM-5 Zeolites with Different SiO₂/Al₂O₃ Molar Ratios
• WANG Wu-Gang, ZHANG Shao-Long, ZHANG Lan-Lan, WANG Yan, LIU Xiao-Ling, GONG Yan-Jun, DOU Tao
• Nanosheet ZSM-5 zeolites with different SiO2/Al2O3 molar ratios have been hydrothermally synthesized by an organic surfa...
• 2013, 29 (09): 2035 -2040 DOI: 10.3866/PKU.WHXB201306183

• 1598Abstract/Metrics
• 1738 PDF(2534KB)

• Selective Oxidation of 4-Methoxymandelic Acid Catalyzed by Mononucleonic and Binucleonic Metal Complexes
• YU Wei-Feng, MENG Xiang-Guang, LIU Ying, LI Xiao-Hong
• Three kinds of mononucleonic metal complexes of L1Cu, L1Co, and L1Mn (L1=N,N'-bis-(2-hydroxyethyl)-malondiamide), and th...
• 2013, 29 (09): 2041 -2046 DOI: 10.3866/PKU.WHXB201306282

• 1194Abstract/Metrics
• 899 PDF(493KB)

• Effect of Surface Promoters-Modifying on Catalytic Performance of Cu/ZnO/Al₂O₃ Methanol Synthesis Catalyst
• HAO Ai-Xiang, YU Yang, CHEN Hai-Bo, MAO Chun-Peng, WEI Shi-Xin, YIN Yu-Sheng
• Surface promoters-modified Cu/ZnO/Al2O3 (CZA) catalysts were prepared by a coprecipitationpost impregnation method and e...
• 2013, 29 (09): 2047 -2055 DOI: 10.3866/PKU.WHXB201306211

• 1783Abstract/Metrics
• 1412 PDF(2002KB)

PHOTOCHEMISTRY AND RADIATION CHEMISTRY

• Enhanced Photoluminescence Properties of CaF₂ in CaO-CaF₂-B₂O₃-SiO₂ Glass Doped with Sm₂O₃
• QIAO Yin-Po, YIN Hai-Rong, ZHANG Yan-Bin, PAN Yun-Juan, QIAO Lu, LIU Ting
• Aseries of luminescent glass composed of CaO-CaF2-B2O3-SiO2 doped with samariumoxide (CFBS: Sm) were prepared. The struc...
• 2013, 29 (09): 2056 -2061 DOI: 10.3866/PKU.WHXB201307091

• 1384Abstract/Metrics
• 1101 PDF(966KB)

PHYSICAL CHEMISTRY OF MATERIALS

• Microwave-Hydrothermal Synthesis and Photocatalytic Activity of Zn₂GeO₄ Nanoribbons
• DU Shu-Qing, YUAN Yu-Feng, TU Wei-Xia
• Zn2GeO4 nanoribbons were synthesized via a microwave-hydrothermal method. The effects of reaction factors, such as react...
• 2013, 29 (09): 2062 -2068 DOI: 10.3866/PKU.WHXB201306213

• 1414Abstract/Metrics
• 2331 PDF(2652KB)