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Acta Physico-Chimica Sinica
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中文
Current Issue
2009 Vol. 25,No. 01
Published:31 December 2008
Date of publication: 31 December 2008
Current column
Table of Contents
ARTICLE
Review
Table of Contents
Table of Contents for Vol.25 No.1
2009, 25 (01): 0
1529
Abstract/Metrics
1798
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
3133
Abstract/Metrics
1730
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
4082
Abstract/Metrics
3010
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
2749
Abstract/Metrics
1510
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
3771
Abstract/Metrics
2084
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
6292
Abstract/Metrics
1940
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
4808
Abstract/Metrics
2059
PDF(396KB)
Visible Light Photoelectrochemical Response of Nitrogen-Doped TiO
2
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
3447
Abstract/Metrics
2057
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
3096
Abstract/Metrics
1928
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
3266
Abstract/Metrics
2185
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
6662
Abstract/Metrics
2469
PDF(1177KB)
Electronic Structure of Pb
x
Sr
1-
x
TiO
3
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
3549
Abstract/Metrics
2109
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
3240
Abstract/Metrics
2522
PDF(1971KB)
Photoinduced Electron Transfer between Perylenequinonoid/Fullerene C
60
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
2999
Abstract/Metrics
2023
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
3118
Abstract/Metrics
2018
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
3572
Abstract/Metrics
1813
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
4508
Abstract/Metrics
2324
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
5390
Abstract/Metrics
2488
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
3015
Abstract/Metrics
1647
PDF(215KB)
Electronic Structures of New Half-Metal Material CrFe
2
O
4
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
3485
Abstract/Metrics
2351
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
3191
Abstract/Metrics
1826
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
3036
Abstract/Metrics
1881
PDF(236KB)
Structures and Isomerization Reactions of the Germylenoid H
2
GeClMgCl 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
2981
Abstract/Metrics
1762
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
3013
Abstract/Metrics
2335
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
3050
Abstract/Metrics
1604
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
3452
Abstract/Metrics
1855
PDF(1971KB)
Sol-Gel Template Synthesis and Characterization of Magnetoelectric CoFe
2
O
4
/BaTiO
3
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
3092
Abstract/Metrics
2329
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
3038
Abstract/Metrics
1903
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
2905
Abstract/Metrics
1852
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
4292
Abstract/Metrics
2103
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
3033
Abstract/Metrics
1912
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
2993
Abstract/Metrics
2084
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
3867
Abstract/Metrics
2636
PDF(808KB)
Effect of Hydrogen on the Ferroelectric Properties of PbZr
0.5
Ti
0.5
O
3
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
3206
Abstract/Metrics
1803
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
3713
Abstract/Metrics
2640
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
3529
Abstract/Metrics
1909
PDF(321KB)