Table of Contents

• Table of Contents for Vol.25 No.1
• 2009, 25 (01): 0-0

• 1512Abstract/Metrics
• 1789 PDF(2139KB)

ARTICLE

• A Sphere-Interface Model for the Solvent Reorganization Energy in an Electron Transfer Reaction at the Solvent/Conductor Interface
• TU Zhe-Yan; LI Xiang-Yuan; FU Ke-Xiang; HE Fu-Cheng
• Based on the continuum medium theory and the basic principles of thermodynamics we used an extra electric field Eex to c...
• 2009, 25 (01): 1-5 DOI: 10.3866/PKU.WHXB20090101

• 3114Abstract/Metrics
• 1720 PDF(175KB)

• Molecular Dynamics Simulation of Anionic Surfactant Aggregation at the Oil/Water Interface
• LI Zhen-Quan; GUO Xin-Li; WANG Hong-Yan; LI Qing-Hua; YUAN Shi-Ling; XU Gui-Ying; LIU Cheng-Bu
• We performed molecular dynamics (MD) simulations to investigate the demixing process of a three-component system, i.e., ...
• 2009, 25 (01): 6-12 DOI: 10.3866/PKU.WHXB20090102

• 4058Abstract/Metrics
• 2993 PDF(4714KB)

• Full Vibrational Energy Spectra and Dissociation Energies for Some Electronic States of Diatomic Halogen Molecules
• QU Shuang-Shuang; SUN Wei-Guo; WANG Yu-Jie; FAN Qun-Chao
• The algebraic method (AM) and a new formula for dissociation energy were used to study full vibrational energies {EAMυ} ...
• 2009, 25 (01): 13-18 DOI: 10.3866/PKU.WHXB20090103

• 2724Abstract/Metrics
• 1504 PDF(190KB)

• Synthesis of Ordered Conducting Polymer Ultrathin Film and Its Application as Hole Injection Layer for Organic Light-Emitting Diode
• XU Jian-Hua; YANG Ya-Jie; JIANG Ya-Dong; YU Jun-Sheng
• A novel layer-ordered ultrathin film of poly(3,4-ethylene dioxythiophene)/arachidic acid (PEDOT:AA) was prepared by a mo...
• 2009, 25 (01): 19-24 DOI: 10.3866/PKU.WHXB20090104

• 3749Abstract/Metrics
• 2070 PDF(820KB)

• Photodamage and Photooxidation Mechanisms of Bovine Serum Albumin
• CHENG Ling-Li; ZHAO Ping; WANG Mei; ZHU Hui; ZHU Rong-Rong; SUN Xiao-Yu; WANG Shi-Long
• Photodamage and photooxidation mechanisms of bovine serumalbumin (BSA) as induced by UVradiation and one-electron oxidat...
• 2009, 25 (01): 25-29 DOI: 10.3866/PKU.WHXB20090105

• 6264Abstract/Metrics
• 1922 PDF(254KB)

• Synthesis, Structure and Hydration of Sodium Dioleyl Sulfosuccinate
• YU Yan-Chun; XIAO He-Ming
• The reaction yield of sodiumdioleyl sulfosuccinate (SDSS) was greatly improved by increasing the sulfonation reaction ti...
• 2009, 25 (01): 30-34 DOI: 10.3866/PKU.WHXB20090106

• 4787Abstract/Metrics
• 2052 PDF(396KB)

• Visible Light Photoelectrochemical Response of Nitrogen-Doped TiO₂ Thin Films Prepared by Anodic Oxidation of Titanium Nitride Films
• YU Zhi-Yong; ZHANG Wei; MA Ming; CUI Xiao-Li
• Nanostructured N-doped TiO2 thin films were obtained by anodic oxidation of titanium nitride films, which were prepared ...
• 2009, 25 (01): 35-40 DOI: 10.3866/PKU.WHXB20090107

• 3413Abstract/Metrics
• 2042 PDF(1073KB)

• Study of Interfacial Dilational Properties by the Spinning Drop Technique
• ZHANG Lei; GONG Qing-Tao; ZHOU Zhao-Hui; WANG Wu-Ning; ZHANG Lu; ZHAO Sui; YU Jia-Yong
• The dilational viscoelastic properties of 4,5-diheptyl-2-propylbenzene sulfonate (DHPBS) at the decane/water interface w...
• 2009, 25 (01): 41-46 DOI: 10.3866/PKU.WHXB20090108

• 3058Abstract/Metrics
• 1923 PDF(467KB)

• In Situ Synthesis and Surface Modification of Calcium Carbonate
• ZHAO Li-Na; ZHAO Xu; REN Su-Xia; LIU Ying; WANG Zi-Chen
• We prepared hydrophobic calciumcarbonate nanoparticles in situ via the carbonation route with various modifiers such as ...
• 2009, 25 (01): 47-52 DOI: 10.3866/PKU.WHXB20090109

• 3237Abstract/Metrics
• 2162 PDF(925KB)

• Geometries, Electronic Structures and Related Properties of Organic Dye Sensitizers JK16 and JK17
• ZHANG Cai-Rong; WU You-Zhi; CHEN Yu-Hong; CHEN Hong-Shan
• The geometries, electronic structures, polarizabilities, and hyperpolarizabilities of novel organic dye sensitizers JK16...
• 2009, 25 (01): 53-60 DOI: 10.3866/PKU.WHXB20090110

• 6622Abstract/Metrics
• 2457 PDF(1177KB)

• Electronic Structure of Pb_xSr_1-xTiO₃
• ZHANG Fu-Chun; ZHANG Zhi-Yong; ZHANG Wei-Hu; YAN Jun-Feng; YUN Jiang-Ni
• Fine structures for PbxSr1-xTiO3 (PST) solid solutions with different mole ratios of Pb/Sr were calculated by adopting t...
• 2009, 25 (01): 61-66 DOI: 10.3866/PKU.WHXB20090111

• 3527Abstract/Metrics
• 2097 PDF(378KB)

• Mesoscopic Simulation on Phase Behavior of Sodium Polyoxyethylene Fatty Alcohol Sulfate in Aqueous Solution
• YOU Hui; ZHAO Bo; WANG Zheng-Wu
• MesoDyn density functional simulation method was used to study differences between the aggregation behavior and the syne...
• 2009, 25 (01): 67-73 DOI: 10.3866/PKU.WHXB20090112

• 3227Abstract/Metrics
• 2491 PDF(1971KB)

• Photoinduced Electron Transfer between Perylenequinonoid/Fullerene C₆₀ Supramolecule and Electron Donor
• GAO Yun-Yan; OU Zhi-Ze; YANG Guo-Qiang; WANG Xue-Song; ZHANG Zhi-Bin; LI Song-Ming
• The magnesiumcomplex of hypocrellinA(Mg2+-HA) (a perylenequinonoid compound) and pristine fullerene C60 was used to cons...
• 2009, 25 (01): 74-78 DOI: 10.3866/PKU.WHXB20090113

• 2990Abstract/Metrics
• 2012 PDF(251KB)

• Simultaneous Catalytic Removal of NOx and Diesel Soot over Cu-Containing Hydrotalcite Derived Catalysts
• WANG Zhong-Peng; CHEN Ming-Xia; SHANGGUAN Wen-Feng
• Copper-containing mixed oxides (CuAlO) were derived from hydrotalcites and prepared by co-precipitation and thermal evol...
• 2009, 25 (01): 79-85 DOI: 10.3866/PKU.WHXB20090114

• 3105Abstract/Metrics
• 2010 PDF(316KB)

• Copper Corrosion Inhibition and Adsorption Behavior of 3-Amino-1,2,4-triazole
• XU Qun-Jie; LI Chun-Xiang; ZHOU Guo-Ding; ZHU Lv-Jun; LIN Chang-Jian
• Corrosion inhibition of copper in 3%NaCl solution by 3-amino-1,2,4-triazole (ATA) was studied in relation to the concent...
• 2009, 25 (01): 86-90 DOI: 10.3866/PKU.WHXB20090115

• 3554Abstract/Metrics
• 1807 PDF(248KB)

• NO_x Adsorption in [Ag]-AlMOR Molecular Sieve
• LIU Jie-Xiang; WEI Xian; ZHANG Xiao-Guang; WANG Gui-Xiang; HAN En-Shan; WANG Jian-Guo
• NOx adsorption in [Ag]-AlMOR molecular sieve was investigated by using density functional theory (DFT) with the generali...
• 2009, 25 (01): 91-96 DOI: 10.3866/PKU.WHXB20090116

• 4495Abstract/Metrics
• 2312 PDF(889KB)

• Adsorption Performances for Vanillin from Aqueous Solution by the Hydrophobic-Hydrophilic Macroporous Polydivinylbenzene/Polyacrylethylenediamine IPN Resin
• XIAO Gu-Qing; XIE Xiang-Lin; XU Man-Cai
• Hydrophobic-hydrophilic macroporous polydivinylbenzene/polyacrylethylenediamine interpenetrating polymer networks (PDVB/...
• 2009, 25 (01): 97-102 DOI: 10.3866/PKU.WHXB20090117

• 5362Abstract/Metrics
• 2465 PDF(280KB)

• Melting Behavior of (AgI)_n Clusters by Molecular Dynamics Simulation
• LI Xiang-Fu; CHEN Hong-Shan; MENG Fan-Shun; LIU Bai-Xing
• Lowest energy structures of (AgI)n (n=3-15) clusters were investigated by using a genetic algorithmbased on empirical po...
• 2009, 25 (01): 103-106 DOI: 10.3866/PKU.WHXB20090118

• 2992Abstract/Metrics
• 1638 PDF(215KB)

• Electronic Structures of New Half-Metal Material CrFe₂O₄
• LIU Jun; LIU Yu; CHEN Xi-Ming; DONG Hui-Ning
• Geometric structures of cubic spinel materials (CrxFe1-x)A(CryFe2-y)BO4 were optimized and their magnetic and electric p...
• 2009, 25 (01): 107-112 DOI: 10.3866/PKU.WHXB20090119

• 3459Abstract/Metrics
• 2330 PDF(1079KB)

• Structure and Characterization of Mg-Doped GaN Nanowires
• XUE Cheng-Shan; ZHANG Dong-Dong; ZHUANG Hui-Zhao; HUANG Ying-Long; WANG Zou-Ping; WANG Ying
• Large-scale Mg-doped GaN nanowires were synthesized by ammoniating Mg:Ga2O3 thin films at 850 ℃ which were deposited on ...
• 2009, 25 (01): 113-115 DOI: 10.3866/PKU.WHXB20090120

• 3166Abstract/Metrics
• 1820 PDF(712KB)

• Characterization of Tribofilms from Zinc Dialkyldithiophosphate in the Presence of Overbased Calcium Phenate Detergents
• WAN Yong; CHAO Wen-Liu
• The effect of overbased calciumphenate detergents on the chemical composition of tribofilms fromzinc dialkyldithiophosph...
• 2009, 25 (01): 116-120 DOI: 10.3866/PKU.WHXB20090121

• 3012Abstract/Metrics
• 1875 PDF(236KB)

• Structures and Isomerization Reactions of the Germylenoid H₂GeClMgCl in Solution
• LI Wen-Zuo; CHENG Jian-Bo; LI Qing-Zhong; GONG Bao-An; SUN Jia-Zhong
• The germylenoid H2GeClMgCl was studied by using density functional theory (DFT) and quadratic configuration interaction ...
• 2009, 25 (01): 121-125 DOI: 10.3866/PKU.WHXB20090122

• 2969Abstract/Metrics
• 1756 PDF(194KB)

• Effect of DMF and Heat Treatment on the Copper-Doped Silica Nanocomposite Aerogel Prepared by Ambient Drying
• ZHU Ting-Liang; LI Gui-An; YE Lu-Yuan; DENG Zhong-Xun; WANG Peng-Fei
• Using tetraethyl orthosilicate (TEOS) as silicon precursor and copper nitrate (Cu(NO3)2·3H2O) as copper source, a copper...
• 2009, 25 (01): 126-130 DOI: 10.3866/PKU.WHXB20090123

• 3004Abstract/Metrics
• 2314 PDF(832KB)

• Simultaneous Catalytic Removal of Soot and NO_x over Single Metal Oxide Catalysts
• ZHU Rong-Shu; GUO Ming-Xin; OUYANG Feng
• A series of single metal oxide catalysts were prepared and their catalytic activities were investigated for simultaneous...
• 2009, 25 (01): 131-136 DOI: 10.3866/PKU.WHXB20090124

• 3033Abstract/Metrics
• 1597 PDF(267KB)

• Synthesis of SAPO-11 Molecular Sieve Microspheres Using a Microwave Technique and Mediated by Ionic Micelles
• LUO Xiao-Lin; CHEN Ya-Shao; CHANG Peng-Mei; YANG De-Suo; JIANG Luan
• Micelles formed by cetyltrimethylammoniumchlorine (CTAC) and n-butanol were used as shape-directing templates to synthes...
• 2009, 25 (01): 137-144 DOI: 10.3866/PKU.WHXB20090125

• 3429Abstract/Metrics
• 1841 PDF(1971KB)

• Sol-Gel Template Synthesis and Characterization of Magnetoelectric CoFe₂O₄/BaTiO₃ Nanotubes
• HUA Zheng-He; LI Dong; FU Hao
• Magnetoelectric CoFe2O4/BaTiO3 composite nanotubes with lengths of about 100 μm and diameters of about 100, 200, and 300...
• 2009, 25 (01): 145-149 DOI: 10.3866/PKU.WHXB20090126

• 3071Abstract/Metrics
• 2311 PDF(1062KB)

• Effects of pH on the Structure of Non-Ionically Templated MSU-X Mesoporous Silica via a Two-Step Synthesis
• JIN Zheng-Wei; LIU Chang-Ling; LIANG Hao
• Highly ordered MSU-X type mesoporous silica was synthesized by using ethoxylated derivatives of fatty esters of sorbitan...
• 2009, 25 (01): 150-154 DOI: 10.3866/PKU.WHXB20090127

• 3018Abstract/Metrics
• 1898 PDF(707KB)

• Scale of Element Electronegativity by Intensive Electrostatic Potential of Atomic Nucleus and Quantity of Electricity of Atomic Valence Shell
• YU De-Cai; CAO Wen-Juan; YU Xu-Dong
• According to the relationship between gravitational potential and electrostatic potential, as well as considering the ph...
• 2009, 25 (01): 155-160 DOI: 10.3866/PKU.WHXB20090128

• 2879Abstract/Metrics
• 1845 PDF(221KB)

• Structures and Properties of Nicotinic Acid Dimer
• LI Hui-Xue; WANG Xiao-Feng; DONG Xiao-Ning; YUAN Kun; ZHU Yuan-Cheng; XIAO Tai
• Nicotinic acid dimer was subjected to density functional theory calculations using B3LYP/6-311+G(d,p) basis set. Seven e...
• 2009, 25 (01): 161-168 DOI: 10.3866/PKU.WHXB20090129

• 4257Abstract/Metrics
• 2092 PDF(1401KB)

• Synthesis and Surface Plasmonic Resonance of Stannum Nanocaps
• LEI Xin-Xian; XIAO Gui-Na; MAN Shi-Qing; YANG Xing-Wang
• Stannum nanocaps were prepared by evaporating Sn on self-assembled monolayer arrays of SiO2 nanoparticles. Surface morph...
• 2009, 25 (01): 169-172 DOI: 10.3866/PKU.WHXB20090130

• 3012Abstract/Metrics
• 1900 PDF(998KB)

• Induced Synthesis and Optical Properties of Nanoparticle HgS Chains
• YANG Xiao-Hong; LUO Chong-Xiao; LIU Jin-Ku; WANG Jian-Dong; CHEN Lei
• Assembly nanoparticle HgS chains with good optical properties were synthesized with high activity polyacrylamide as the ...
• 2009, 25 (01): 173-177 DOI: 10.3866/PKU.WHXB20090131

• 2964Abstract/Metrics
• 2078 PDF(1189KB)

• Synthesis of Mesoporous Polystyrene Using Reversed Microemulsion Template Method
• LU Xia; TANG Jing; FAN Yu-Bing; HU Jun; LIU Hong-Lai
• Using a reversed microemulsion as template, we developed a new and convenient synthesis method for mesoporous polymer ma...
• 2009, 25 (01): 178-182 DOI: 10.3866/PKU.WHXB20090132

• 3830Abstract/Metrics
• 2620 PDF(808KB)

• Effect of Hydrogen on the Ferroelectric Properties of PbZr_0.5Ti_0.5O₃ during Forming Gas Annealing
• ZHAO Qing-Xun; GENG Bo; WANG Shu-Biao; BIAN Fang; GUAN Li; LIU Bao-Ting
• Ferroelectric and paraelectric states of two-layer supercell PbZr0.5Ti0.5O3 for hydrogen-free and hydrogenated were inve...
• 2009, 25 (01): 183-186 DOI: 10.3866/PKU.WHXB20090133

• 3179Abstract/Metrics
• 1784 PDF(1029KB)

• Molecular Dynamics Simulation on Binding Energies and Mechanical Properties of HTPB and Different Crystal Faces of Al
• FU Yi-Zheng; LIU Ya-Qing; MEI Lin-Yu; LAN Yan-Hua
• The binding energies and mechanical properties of the interface layer constructed by hydroxy-terminated polybutadiene(HT...
• 2009, 25 (01): 187-190 DOI: 10.3866/PKU.WHXB20090134

• 3682Abstract/Metrics
• 2622 PDF(459KB)

Review

• Investigation of Macromolecule/Surfactant Interaction by Interfacial Dilational Rheology Method
• ZHU Yan-Yan; XU Gui-Ying
• The applications of interfacial dilational rheology method in studying macromolecule/surfactant system were systematical...
• 2009, 25 (01): 191-200 DOI: 10.3866/PKU.WHXB20090135

• 3506Abstract/Metrics
• 1900 PDF(321KB)