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Acta Phys. -Chim. Sin.
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中文
Current Issue
2010 Vol. 26,No. 02
Published: 26 January 2010
Current column
Table of Contents
THERMODYNAMICS,THERMOCHEMISTRY AND SOLUTION CHEMISTRY
CHEMICAL KINETICS AND MOLECULE DYNAMICS
ELECTROCHEMISTRY
STRUCTURE CHEMISTRY
COLLOID AND INTERFACE CHEMISTRY
CATALYSIS AND SURFACE STRUCTURE
PHOTOCHEMISTRY AND SPECTROSCOPY
QUANTUM CHEMISTRY AND COMPUTATION CHEMISTRY
BIOPHYSICAL CHEMISTRY
PHYSICAL CHEMISTRY OF MATERIALS
Table of Contents
Table of Contents for Vol.26 No. 02
2010, 26 (02): 0.
1730
Abstract/Metrics
1632
PDF(4075KB)
THERMODYNAMICS,THERMOCHEMISTRY AND SOLUTION CHEMISTRY
Effects of Concentration and Freeze-Thaw Treatment on the Local Structure of Cu
2+
in CuCl
2
Aqueous Solutions
WANG Wen-Hua, ZHAO Lin, YAN Bo, TAN Xin, HE Bo, PAN Zhi-Yun
The microscopic local environmental structure of Cu2+ ions in copper chloride solutions was investigated by X-ray absorp...
2010, 26 (02): 265-269.
DOI: 10.3866/PKU.WHXB20100206
4991
Abstract/Metrics
2160
PDF(432KB)
CHEMICAL KINETICS AND MOLECULE DYNAMICS
Influence of H
2
O and CO
2
in Air on the Combustion of Ethylene (II)——Reaction Mechanismand Kinetics Simulation
SHAO Ju-Xiang, TAN Ning-Xin, LIU Wei-Xiong, LI Xiang-Yuan
Clean air at high temperature and velocity is used as the oxidant during fuel combustion in a hypersonic scramjet. In gr...
2010, 26 (02): 270-276.
DOI: 10.3866/PKU.WHXB20100140
5259
Abstract/Metrics
2513
PDF(297KB)
ELECTROCHEMISTRY
Electrochemical Reduction Reaction Mechanism of Cinnamonitrile
WANG Huan, ZHAO Shu-Feng, LAN Yang-Chun, LIU Xiao, LU Jia-Xing
The electroreduction of cinnamonitrile in MeCN solution was studied using cyclic voltammetry, with two reduction peaks a...
2010, 26 (02): 277-282.
DOI: 10.3866/PKU.WHXB20100223
5309
Abstract/Metrics
1983
PDF(312KB)
Composite Cathode Structure and Binder for High Performance Lithium-Sulfur Battery
WU Ying-Lei, YANG Jun, WANG Jiu-Lin, YIN Li-Chao, NULI Yan-Na
Ball milling in combination with heat treatment was used to prepare sulfur-based composite cathode materials incorporati...
2010, 26 (02): 283-290.
DOI: 10.3866/PKU.WHXB20100205
5731
Abstract/Metrics
2658
PDF(985KB)
Copolymerization and Capacitive Performance of Composite Carbon Nanotubes/Polyaniline/Nickel Hexacyanoferrate Films
ZANG Yang, HAO Xiao-Gang, WANG Zhong-De, ZHANG Zhong-Lin, LIU Shi-Bin
Electroactive composite films of carbon nanotubes/polyaniline/nickel hexacyanoferrate (CNTs/PANI/NiHCF) were synthesized...
2010, 26 (02): 291-298.
DOI: 10.3866/PKU.WHXB20100227
6742
Abstract/Metrics
2458
PDF(622KB)
Photoelectrochromic Properties of TiO
2-
x
N
x
/NiO Bilayer Thin Films
JIANG Lei, HUANG Hui, WANG Chun-Tao, ZHANG Wen-Kui, GAN Yong-Ping, TAO Xin-Yong
N-doped TiO2 films were prepared on indium tin oxide(ITO) conducting glass by dc-reactive magnetron sputtering using a T...
2010, 26 (02): 299-303.
DOI: 10.3866/PKU.WHXB20100226
6016
Abstract/Metrics
2640
PDF(1167KB)
STRUCTURE CHEMISTRY
Hydration of
β
-Lactoglobulin in Magnetized Water: Effect of Magnetic Treatment on the Cluster Structure of Water and Hydration Properties of Proteins
HE Jin-Song, YANG Hong-Wei, CAI Ran, LO Chih-Kang, ZHU Wan-Peng
To investigate the hydration of proteins in magnetized water, pure water was treated with a static magnetic field (MF) o...
2010, 26 (02): 304-310.
DOI: 10.3866/PKU.WHXB20100141
5385
Abstract/Metrics
2039
PDF(240KB)
COLLOID AND INTERFACE CHEMISTRY
Study on Lecithin/Amino Acid/H
2
O Micelle and Liposome Systems by Capacitance Method
LIU Tian-Qing, TANG Yao, YU Ke-Wei
The structures and properties of lecithin/amino acid/H2O micelle and liposome systems were studied using electrical capa...
2010, 26 (02): 311-316.
DOI: 10.3866/PKU.WHXB20100145
4748
Abstract/Metrics
2108
PDF(1990KB)
Molecular Organized Assemblies Formed by Tetradecyl Aryl Sulfonate
YU Tao, LI Zhong, DING Wei, LUO Shi-Qiong, LUAN Huo-Xin, TONG Wei, QU Guang-Miao, CHENG Jie-Cheng
We investigated the micelles, reverse micelles, and microemulsions formed by three kinds of tetradecyl aryl sulfonates s...
2010, 26 (02): 317-323.
DOI: 10.3866/PKU.WHXB20100224
4883
Abstract/Metrics
1872
PDF(1225KB)
Aggregation Behavior of Amphiphilic Statistical Polymers and Their Interactions with Nonionic Surfactants
WU Xu, QIAO Ying-Jie, HU Chang-Chao, YANG Hui, WANG Jin-Ben
A series of amphiphilic polymers were synthesized by the statistical polymerization of 2-(acrylamido)-dodecanesulfonic a...
2010, 26 (02): 324-330.
DOI: 10.3866/PKU.WHXB20100204
5563
Abstract/Metrics
2212
PDF(512KB)
CATALYSIS AND SURFACE STRUCTURE
Structure and Catalytic Property of Ce
1-
x
Fe
x
O
2
Mixed Oxide Catalysts for Low Temperature Soot Combustion
YAN Dong-Xia, WANG Hua, LI Kong-Zhai, WEI Yong-Gang, ZHU Xing, CHENG Xian-Ming
A series of Ce1-xFexO2 mixed oxides with different Ce/Fe molar ratios were prepared via hydrothermal method. The effect ...
2010, 26 (02): 331-337.
DOI: 10.3866/PKU.WHXB20100201
4991
Abstract/Metrics
2335
PDF(1344KB)
Effect of Hydrothermal Treatment on the Acidity and Catalytic Performance of Nanosized HZSM-5 Zeolites for the Conversion of Methanol to Propene
MAO Dong-Sen, GUO Qiang-Sheng, MENG Tao, LU Guan-Zhong
A series of modified nanosized HZSM-5 zeolites were prepared by hydrothermal treatment at different temperatures and cha...
2010, 26 (02): 338-344.
DOI: 10.3866/PKU.WHXB20100208
6580
Abstract/Metrics
2009
PDF(283KB)
Preparation of Copper-Cobalt-Silicon Catalysts for Higher Alcohol Synthesis by Glow Discharge Plasma
XU Hui-Yuan, CHU Wei, DENG Si-Yu
Novel Cu-Co/SiO2 catalysts were prepared by conventional impregnation methods with the assistance of glow discharge plas...
2010, 26 (02): 345-349.
DOI: 10.3866/PKU.WHXB20100228
4421
Abstract/Metrics
1886
PDF(146KB)
Hydrogen Production fromCoke Oven Gas byMethane Reforming: Thermodynamic Analysis and Experimental Study
YANG Zhi-Bin, ZHANG Yu-Wen, ZHANG Yun-Yan, DING Wei-Zhong, SHEN Pei-Jun, LIU Yong, ZHOU Yu-Ding, HUANG Shao-Qing
A thermodynamic analysis of the partial oxidation of methane (POM) in coke oven gas (COG) was carried out. The optimized...
2010, 26 (02): 350-358.
DOI: 10.3866/PKU.WHXB20100212
5902
Abstract/Metrics
2218
PDF(3341KB)
Adsorption Behavior and Mechanism of Grafted PMAA-HEMA/NVP Microspheres toward Lysozyme
FU Hong-Yan, GAO Bao-Jiao, NIU Qing-Yuan
The crosslinking copolymerization of 2-hydroxyethyl methacrylate (HEMA) and N-vinylpyrrolidone (NVP) was performed using...
2010, 26 (02): 359-366.
DOI: 10.3866/PKU.WHXB20100207
5293
Abstract/Metrics
2276
PDF(1288KB)
Adsorption of Naphthalene on a Viscose-Based Activated Carbon Fiber
ZHANG Tian-Yong, YANG Qiu-Sheng, SHI Hui-Xian, HAN Cong, LIU Xu
We studied the isothermal adsorption of naphthalene on a viscose-based activated carbon fiber (VACF) in aqueous solution...
2010, 26 (02): 367-372.
DOI: 10.3866/PKU.WHXB20100221
5833
Abstract/Metrics
2067
PDF(274KB)
Incorporation of CuO into Mesoporous Carbon CMK-3 and Its Adsorption and Catalytic Oxidation of Phenol
HU Long-Xing, DANG Song-Tao, YANG Xia-Ping
Copper (II) oxide nanoparticles were incorporated into the pore systemof mesoporous carbon CMK-3 by a facile method, for...
2010, 26 (02): 373-377.
DOI: 10.3866/PKU.WHXB20100222
5966
Abstract/Metrics
2078
PDF(399KB)
Synthesis and Desulfurization Performance of Nanocrystal-Assembled Zeolite L with a Hierarchical Pore Structure
HUO Quan, DOU Tao, GONG Yan-Jun, ZHAO Zhen, DENG Feng, YU Zhi-Wu, PAN Hui-Fang
Zeolite MeLTL with a micro-mesoporous composite pore structure was synthesized by using nanocrystal clusters of zeolite ...
2010, 26 (02): 378-384.
DOI: 10.3866/PKU.WHXB20100232
4964
Abstract/Metrics
2956
PDF(955KB)
MCl
x
(M=Pd, Fe, Cr) Assisted Synthesis of Ordered Mesoporous Carbon and Their Electrocatalytic Performance after Loading with Pt Nanoparticles
SUN Dun, HE Jian-Ping, ZHOU Jian-Hua, WANG Tao, DI Zhi-Yong, WANG Dao-Jun, DING Xiao-Chun
The Pt-loading properties of ordered mesoporous carbon (OMC) synthesized with assistance of MClx (M=Pd, Fe, Cr; x=2, 3, ...
2010, 26 (02): 385-391.
DOI: 10.3866/PKU.WHXB20100121
4773
Abstract/Metrics
1871
PDF(1646KB)
PHOTOCHEMISTRY AND SPECTROSCOPY
Highly EfficientWhite Organic Light Emitting Diodes with a
p
-Type Structure
WANG Chun-Lei, FEI Teng, LI Feng, MA Yu-Guang
Highly efficient red organic light emitting diodes with a p-type structure were fabricated. The luminance, current densi...
2010, 26 (02): 392-396.
DOI: 10.3866/PKU.WHXB20100214
4251
Abstract/Metrics
1637
PDF(448KB)
Surface-Enhanced Raman Spectroscopic Study on the Co-adsorption of DNA Bases with Perchlorate
CUI Li, REN Bin, TIAN Zhong-Qun
Co-adsorption with molecules that strongly adsorb on metallic surfaces is beneficial in improving the surface-enhanced R...
2010, 26 (02): 397-402.
DOI: 10.3866/PKU.WHXB20100136
5924
Abstract/Metrics
2016
PDF(404KB)
Transient Photovoltaic and Surface Photoacoustic Characteristics of Mesoporous Crystalline La-doped TiO
2
Nanoparticles
LI Kui-Ying, LIU Tong, ZHOU Bing-Jing, WEI Sai-Ling, YANG Wei-Yong
Transient photovoltaic and surface photoacoustic techniques were used to investigate the separation and recombination pr...
2010, 26 (02): 403-408.
DOI: 10.3866/PKU.WHXB20100213
4721
Abstract/Metrics
1879
PDF(812KB)
QUANTUM CHEMISTRY AND COMPUTATION CHEMISTRY
Effects of NO
2
, OH and OH
-
on the Initial Pyrolysis of β-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine
JIANG Fu-Ling, ZHAI Gao-Hong, DING Li, YUE Ke-Fen, LIU Ni, SHI Qi-Zhen, WEN Zhen-Yi
The structures of β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (β-HMX) and its complexes with the pyroly...
2010, 26 (02): 409-414.
DOI: 10.3866/PKU.WHXB20100128
5206
Abstract/Metrics
1806
PDF(1276KB)
Formation Mechanism of [AlCl]
n
during Production of Aluminum by AlCl Disproportionation
CHEN Xiu-Min, YANG Bin, TAO Dong-Ping, DAI Yong-Nian
Density functional theory with the generalized gradient approximation was used to determine the geometries, energies, tr...
2010, 26 (02): 415-421.
DOI: 10.3866/PKU.WHXB20100217
5537
Abstract/Metrics
2304
PDF(2058KB)
Molecular Dynamics Simulation of Anionic Surfactant at the Water/
n
-Alkane Interface
XIAO Hong-Yan, ZHEN Zhen, SUN Huan-Quan, CAO Xu-Long, LI Zhen-Quan, SONG Xin-Wang, CUI Xiao-Hong, LIU Xin-Hou
The structural and dynamic properties of anionic surfactant at the water/n-alkane (nonane, decane, and undecane) interfa...
2010, 26 (02): 422-428.
DOI: 10.3866/PKU.WHXB20100216
6226
Abstract/Metrics
2733
PDF(2454KB)
Structures and Characteristics of the Abnormally Blue-Shifted Single-Electron LithiumBond Complexes Y…Li—CH
3
[Y=CH
3
, CH
2
CH
3
, CH(CH
3
)
2
, C(CH
3
)
3
] System
LI Zhi-Feng, ZHU Yuan-Cheng, ZUO Guo-Fang, TANG Hui-An, LI Hong-Yu
Single-electron lithium bond complexes CH3…Li—CH3(I), H3CH2C…Li—CH3(II), (H3C)2HC…Li&md...
2010, 26 (02): 429-435.
DOI: 10.3866/PKU.WHXB20100110
5108
Abstract/Metrics
1786
PDF(1591KB)
Ab initio
Investigation of the Structures and Electronic Properties of PdO
0,±1
, PdH
0,±1
and PdOH Molecules
SUN Xi-Yuan, DU Ji-Guang, JIANG Gang
Several ab initio methods were employed to investigate the structures and electronic properties of PdO0,±1, PdH0,...
2010, 26 (02): 436-440.
DOI: 10.3866/PKU.WHXB20100129
5011
Abstract/Metrics
2019
PDF(415KB)
Spin-Forbidden Reaction Mechanism of CO
2
Cleavage Activated by W
+
in Gas Phase
LIU Ling-Ling, WANG Yong-Cheng
We investigated the spin-forbidden reaction mechanism of CO2 cleavage, activated by W+ in gas phase, using density funct...
2010, 26 (02): 441-446.
DOI: 10.3866/PKU.WHXB20100218
5346
Abstract/Metrics
2318
PDF(1704KB)
Effect of Alkyl Substitution on the Electronic Structure and Spectrum of Rhodamine
LEI Yong-Lin, HUO Ji-Chuan
The structures of eight kinds of rhodamine compounds, substituted by different alkyls at different positions, were optim...
2010, 26 (02): 447-452.
DOI: 10.3866/PKU.WHXB20100144
5499
Abstract/Metrics
1733
PDF(615KB)
Geometric Structures and Electronic Properties of Small Gold-Palladium Binary Clusters
TANG Dian-Yong, HUANG Xue-Na, ZOU Ting, JIN Cheng, HU Jian-Ping, FU Qin-Chao
The geometric and electronic properties of AumPdn (m+n≤6) binary clusters were investigated at the UBP86/LANL2DZ and ...
2010, 26 (02): 453-460.
DOI: 10.3866/PKU.WHXB20100229
4916
Abstract/Metrics
2486
PDF(2834KB)
Structure Stability and Electronic Properties of C
56
X
10
(X=F, Cl, Br, I)
CAO Qing-Song, DENG Kai-Ming
The generalized gradient approximation (GGA) method based on density functional theory (DFT) was used to analyze the str...
2010, 26 (02): 461-465.
DOI: 10.3866/PKU.WHXB20100202
5272
Abstract/Metrics
2118
PDF(1256KB)
Structures and Antioxidant Activities of Lespedezaflavonone from
Lespedeza Virgata
LI Min-Jie, LI Ya-Jun, PENG Chun-Rong, LU Wen-Cong
The molecular structures and antioxidant activities of a novel flavonoid-type compound (lespedezaflavonone) from Lespede...
2010, 26 (02): 466-470.
DOI: 10.3866/PKU.WHXB20100230
4886
Abstract/Metrics
1775
PDF(1193KB)
BIOPHYSICAL CHEMISTRY
Activity Prediction of Hormone-Sensitive Lipase Inhibitors Based on Machine Learning Methods
LV Wei, XUE Ying
Hormone-sensitive lipase (HSL) is known as the key rate-limiting enzyme responsible for regulating free fatty acids (FFA...
2010, 26 (02): 471-477.
DOI: 10.3866/PKU.WHXB20100125
4413
Abstract/Metrics
Supporting Info
2073
PDF(373KB)
Mobility of Na
+
in a G-Quadruplex
GUO Ci, LIU Cui, YANG Zhong-Zhi
The Na+-G-quadruplex complex is a polarized system and the mobility of Na+ during its formation or decomposition is stil...
2010, 26 (02): 478-486.
DOI: 10.3866/PKU.WHXB20100219
4147
Abstract/Metrics
1617
PDF(1677KB)
Control of Vibrational Biresonance in a CalciumIon System
SHI Jian-Cheng, DONG Tao
The vibrational bioresonance (VBR) and its control in a calciumion oscillation systemunder the influence of low-frequenc...
2010, 26 (02): 487-494.
DOI: 10.3866/PKU.WHXB20100220
4133
Abstract/Metrics
1788
PDF(1603KB)
Biological Activity of a Cholesterol Modified Fullerene/
γ
-Cyclodextrin Inclusion Complex
GAO Yun-Yan, LIU Li-Hua, OU Zhi-Ze, LI Yi, YANG Guo-Qiang, WANG Xue-Song
A cholesterol modified fullerene (CHL-C60) was synthesized using the Bingel-Hirsch reaction and was characterized by nuc...
2010, 26 (02): 495-501.
DOI: 10.3866/PKU.WHXB20100238
4097
Abstract/Metrics
2040
PDF(632KB)
PHYSICAL CHEMISTRY OF MATERIALS
Patterning of TiO
2
Thin Films Prepared from Aqueous Solutions
LIANG Shan, XUE Qun-Ji, CUI Yu-Hong, ZHAO Zhan-Fen
TiO2 thin films were patterned froman aqueous solution containing Ti(SO4)2 by chemical bath deposition and electrochemic...
2010, 26 (02): 502-506.
DOI: 10.3866/PKU.WHXB20100139
4965
Abstract/Metrics
2606
PDF(2329KB)
Optical Properties of Single-Crystal GaN Nanowires Synthesized by Pd Catalysis
GUO Yong-Fu, XUE Cheng-Shan, SHI Feng, ZHUANG Hui-Zhao, LIU Wen-Jun, SUN Hai-Bo, CAO Yu-Ping
Based on the catalytic property of palladium, GaN nanowires were fabricated by ammoniating Pd:Ga2O3 thin films at 950 ℃,...
2010, 26 (02): 507-510.
DOI: 10.3866/PKU.WHXB20100203
5150
Abstract/Metrics
1621
PDF(1198KB)
Synthesis, Characterization and Formation Mechanism of CdS Nanorods
CHEN Shu-Tang, ZHANG Xiao-Ling, HOU Xiao-Miao, ZHOU Qi
CdS nanorods were successfully synthesized by pyrolysis using trioctylphosphine (TOP) as a coordinating solvent. For thi...
2010, 26 (02): 511-514.
DOI: 10.3866/PKU.WHXB20100210
6545
Abstract/Metrics
Supporting Info
2823
PDF(1449KB)
Direct Syntheses and Characterizations of PW11/SBA-15 Mesoporous Hybrid Materials
WANG Jin-E, YANG Chun
The hybrid mesoporous materials, PW11/SBA-15, were synthesized using tetraethoxysilane (TEOS) and lacunary polyoxometala...
2010, 26 (02): 515-520.
DOI: 10.3866/PKU.WHXB20100211
4947
Abstract/Metrics
2024
PDF(1251KB)
Structural and Morphological Transformation of MnO
2
Nanostructures from Mn
3
O
4
Precursor
WANG Fan, WANG Yan-Min, WEN Yan-Xuan, SU Hai-Feng, LI Bin
Manganese oxides show huge structural flexibility and appear in various crystallographic polymorphs. Hence, morphologica...
2010, 26 (02): 521-526.
DOI: 10.3866/PKU.WHXB20100209
5002
Abstract/Metrics
2463
PDF(1807KB)
Ordered Mesoporous MgZnO with Crystalline Walls
GENG Wang-Chang, LAI Xiao-Yong, LI Xiao-Tian
Ordered mesoporous MgZnO was synthesized using mesoporous carbon CMK-3 as hard template and Mg(NO3)2·6H2Oaswell a...
2010, 26 (02): 527-530.
DOI: 10.3866/PKU.WHXB20100239
4941
Abstract/Metrics
1964
PDF(1185KB)