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Acta Phys. -Chim. Sin.
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中文
Current Issue
2012 Vol. 28,No. 06
Published: 17 May 2012
Current column
Table of Contents
REVIEW
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
THEORETICAL AND COMPUTATIONAL CHEMISTRY
ELECTROCHEMISTRY AND NEW ENERGY
SOFT MATTER
CATALYSIS AND SURFACE SCIENCE
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
BIOPHYSICAL CHEMISTRY
PHYSICAL CHEMISTRY OF MATERIALS
Table of Contents
Cover and Table of Contents for Vol.28 No. 6
2012, 28 (06): 0.
1640
Abstract/Metrics
1369
PDF(7611KB)
REVIEW
Research Progress on the Optical Properties of Gold Nanorods
KE Shan-Lin, KAN Cai-Xia, MO Bo, CONG Bo, ZHU Jie-Jun
Gold nanorods exhibit unique and tunable surface plasmon resonance (SPR) derived optical properties in the ultraviolet-v...
2012, 28 (06): 1275-1290.
DOI: 10.3866/PKU.WHXB201203162
7688
Abstract/Metrics
5190
PDF(2485KB)
Research Progress in Formation Mechanism of TiO
2
Nanotubes and Nanopores in Porous Anodic Oxide
ZHU Xu-Fei, HAN Hua, SONG Ye, DUAN Wen-Qiang
Self-ordered porous anodic TiO2 nanotubes and other porous anodic oxides (PAO) have received considerable attention beca...
2012, 28 (06): 1291-1305.
DOI: 10.3866/PKU.WHXB201204093
5538
Abstract/Metrics
2867
PDF(3311KB)
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
Skeletal Mechanism Generation Based on Eigenvalue Analysis Method
WEN Fei, ZHONG Bei-Jing
A new eigenvalue analysis-based method is presented for the construction of skeletal reduced mechanisms from complex che...
2012, 28 (06): 1306-1312.
DOI: 10.3866/PKU.WHXB201204012
4532
Abstract/Metrics
1877
PDF(2170KB)
Effects of Silver Nanoparticles with Different Electrical Properties on the Spectroscopic Properties of Methyl Orange
WANG Yue-Hui, SHEN Jian-Hong
The effects of positive/negative silver nanoparticles on the spectroscopic properties of methyl orange (MO) in solution ...
2012, 28 (06): 1313-1319.
DOI: 10.3866/PKU.WHXB201203292
4846
Abstract/Metrics
1765
PDF(738KB)
Chaotrope-Assisted Color Visualization Mechanism and Thermodynamics Involved in Molecular Recognition of Melamine by Bolaamphiphiles Embedded in Polydiacetylene Vesicles
CHEN Zhong-Xiu, CAO Chen, DENG Shao-Ping
The interaction between melamine and 1,12-diaminododecanediorotate (DDO), a bolaamphiphile bearing molecular recognition...
2012, 28 (06): 1320-1328.
DOI: 10.3866/PKU.WHXB201204064
4110
Abstract/Metrics
Supporting Info
1528
PDF(1837KB)
THEORETICAL AND COMPUTATIONAL CHEMISTRY
State-Specific (Linear-Response)-Polarizable Continuum Models/ Time-Dependent Density Functional Theory Study on the Absorption and Emission Spectra of an Organic Fluorescent Emitter
LIU Xiao-Jun, LIN Tao, CAI Xin-Chen, GAO Shao-Wei, YANG Lei, MA Rui, ZHANG Jin-Yue
3-(dicyanomethylene)-5,5-dimethyl-1-(3-[9-(2-ethyl-hexyl)-carbazol]-vinyl) cyclohexene (DCDHCC) is one of a series of or...
2012, 28 (06): 1329-1336.
DOI: 10.3866/PKU.WHXB201204193
4511
Abstract/Metrics
1416
PDF(857KB)
TDDFT Investigation and Design for Fluorescent Molecules with Push-Pull Structures
LIU Xiao-Jun, LIN Tao, GAO Shao-Wei, MA Rui, ZHANG Jin-Yue, CAI Xin-Chen, YANG Lei, TENG Feng
The electronic and geometrical structures of the ground and excited states of six fluorescent emitters, namely 3-(dicyan...
2012, 28 (06): 1337-1346.
DOI: 10.3866/PKU.WHXB201204092
5478
Abstract/Metrics
1958
PDF(1166KB)
Molecular Dynamics Simulation of Induced Solidification Process of Pure Liquid Fe by Al
2
O
3
Nanoparticles
LAI Li-Shan, WU Yong-Quan, SHEN Tong, ZHANG Ning, GAO Shuai
The molecular dynamics (MD) method has been used to simulate the solidification process of pure liquid Fe induced by a s...
2012, 28 (06): 1347-1354.
DOI: 10.3866/PKU.WHXB201203301
4373
Abstract/Metrics
1832
PDF(2985KB)
Geometries, Stabilities and Electronic Properties of Au
12
M (M=Na, Mg, Al, Si, P, S, Cl) Clusters
ZHAO Gao-Feng, WANG Yin-Liang, SUN Jian-Min, WANG Yuan-Xu
The geometries, stabilities, and electronic properties of Au12M (M=Na, Mg, Al, Si, P, S, Cl) clusters were systematicall...
2012, 28 (06): 1355-1360.
DOI: 10.3866/PKU.WHXB201204063
6234
Abstract/Metrics
2918
PDF(1773KB)
Influence of Transition Metal M (M=Cu, Ag, Au) on the Strength of Halogen Bonding Interaction X…Cl (X=F, Cl, Br)
ZHAO Qiang, FENG Da-Cheng
Intermolecular complexes of MCH2X…ClF (M=Cu, Ag, Au; X = F, Cl, Br) and CH3X…ClF were investigated using b...
2012, 28 (06): 1361-1367.
DOI: 10.3866/PKU.WHXB201203261
4496
Abstract/Metrics
1525
PDF(930KB)
ELECTROCHEMISTRY AND NEW ENERGY
Fabrication of Nanosheet/Nestlike Nanoarray Hierarchical TiO
2
Film for Dye-Sensitized Solar Cell
CHANG Meng-Lei, LI Xin-Jun
A hierarchical configuration of TiO2 nanoarray film, comprising a nestlike TiO2 nanoarray layer integrated with a nanosh...
2012, 28 (06): 1368-1372.
DOI: 10.3866/PKU.WHXB201203161
5349
Abstract/Metrics
2185
PDF(1051KB)
Influence of Donor and Acceptor Mass Ratios on P3HT:PCBM Film Structure and Device Performance
LI Dan, LIANG Ran, YUE He, WANG Peng, FU Li-Min, ZHANG Jian-Ping, AI Xi-Cheng
Organic bulk heterojunction photovoltaic devices based on poly(3-hexylthiophene) (P3HT, donor) and [6, 6]-phenyl-C61-but...
2012, 28 (06): 1373-1379.
DOI: 10.3866/PKU.WHXB201204061
5455
Abstract/Metrics
2635
PDF(1682KB)
Structure and Electrical Properties of MgO or Fe
2
O
3
-Doped Ce
0.8
Nd
0.2
O
1.9
Solid Electrolytes
LIU Jian-Wei, ZHOU De-Feng, YANG Mei, LUO Fei, MENG Jian
A precursor powder of Ce0.8Nd0.2O1.9 (NDC) containing 0.05% (mass fraction) SiO2 as an impurity (NDCSi) was doped with 0...
2012, 28 (06): 1380-1386.
DOI: 10.3866/PKU.WHXB201203304
4278
Abstract/Metrics
1685
PDF(1877KB)
Modification of Carbon Paper Electrode
via
Hydrothermal Oxidation Applied in the Vanadium Redox Battery
SU An-Qun, WANG Nan-Fang, LIU Su-Qin, WU Tao, PENG Sui
To improve the electrochemical activity of electrodes in the vanadium redox battery, carbon paper electrode was treated ...
2012, 28 (06): 1387-1392.
DOI: 10.3866/PKU.WHXB201204013
4744
Abstract/Metrics
1921
PDF(901KB)
Fabrication and Characteristic of ZnO Glucose Oxidase Enzyme Electrode Based on Flexible Substrate
LI Jin-Hua, LI JING, FANG Xuan, WANG Xiao-Hua, WEI Zhi-Peng
Well-aligned ZnO nanorods (NRs) were grown on the ZnO seed layer of a polyimide (PI) coated flexible substrate using the...
2012, 28 (06): 1393-1397.
DOI: 10.3866/PKU.WHXB201204062
4431
Abstract/Metrics
1486
PDF(990KB)
Electrochemical Synthesis of CdS Nanocrystals on a Gold Electrode Modified with a
p
-Aminothiophenol Self-Assembled Monolayer
WANG Hui, XI Yan-Yan, ZHOU Jian-Zhang, LIN Zhong-Hua
This work describes the electrochemical synthesis of cadmium sulfide (CdS) nanostructured films by applying a pulsed cur...
2012, 28 (06): 1398-1404.
DOI: 10.3866/PKU.WHXB201204091
4346
Abstract/Metrics
Supporting Info
1354
PDF(1379KB)
SOFT MATTER
Self-Assembly of Hydrophobically Associating Polyacrylamide and Gemini Surfactant
HAN Li-Juan, YE Zhong-Bin, CHEN Hong, LUO Ping-Ya
The self-assembly of hydrophobically associating polyacrylamide (HAPAM) and the effect of adding gemini surfactant (dimy...
2012, 28 (06): 1405-1410.
DOI: 10.3866/PKU.WHXB201203202
4628
Abstract/Metrics
1517
PDF(617KB)
Lamellar Liquid Crystalline Phase Formed by Triblock Copolymer L64 in 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid
ZHAO Xue-Yan, CAO Yu-Rong, CAO Gui-Rong, XIAO Rui-Jie
The aggregation behavior of the triblock copolymer poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) (L64,...
2012, 28 (06): 1411-1417.
DOI: 10.3866/PKU.WHXB201203262
4646
Abstract/Metrics
1480
PDF(3256KB)
Phase Behaviors and 2D-3D Morphological Transition of Aromatic Schiff Base Derivatives in Organized Molecular Films
JIAO Ti-Feng, LIU Ming-Hua
A novel aromatic Schiff base ligand has been designed and its interfacial phase behavior as well as its in situ coordina...
2012, 28 (06): 1418-1424.
DOI: 10.3866/PKU.WHXB201203291
4145
Abstract/Metrics
1363
PDF(3488KB)
CATALYSIS AND SURFACE SCIENCE
Acid-Base Properties and Adsorption Behaviors of Heavy Metal Ions at the Surface of
γ
-Al
2
O
3
/SiO
2
Nano-Mixed System
HUANG Pei-Pei, SUN He-Yun, FAN Jia-Ni, SUN Zhong-Xi
The surface acid-base properties of a γ-Al2O3/SiO2 nano-mixed system were studied by potentiometric titration tech...
2012, 28 (06): 1425-1431.
DOI: 10.3866/PKU.WHXB201203091
3992
Abstract/Metrics
1854
PDF(756KB)
Synthesis of Hydrophobic Porous Silica for Removal of Organic Contaminations from Water
SUN Tao, GUO Yue, LI Wen-Cui, LU An-Hui
A hydrophobic porous silica material was successfully synthesized using sodium silicate as silica source, hydrochloric a...
2012, 28 (06): 1432-1438.
DOI: 10.3866/PKU.WHXB201203151
5306
Abstract/Metrics
2195
PDF(1791KB)
Synthesis of Combined Micro-Mesoporous Zeolites and Their Application to Automobile Cold Start Emission Control
ZHANG Lan, ZHANG Zhen-Zhong, WEI Ji-Ying, MENG Bi-Fang, JIANG Feng, LIANG Tong-Xiang
Synthesis of micro-mesoporous zeolites β/M (where β and M denote β zeolite and MCM-41 zeolite, respective...
2012, 28 (06): 1439-1447.
DOI: 10.3866/PKU.WHXB201203142
4330
Abstract/Metrics
1699
PDF(3034KB)
Performance Effect of Pt/MO
x
-SiO
2
(M=Ce, Zr, Al) Catalysts for CO and C
3
H
8
Oxidation
ZHOU Ju-Fa, ZHAO Ming, PENG Na, YANG Zheng-Zheng, GONG Mao-Chu, CHEN Yao-Qiang
MOx-SiO2 (M=Ce, Zr, Al) mixed oxides with a MOx:SiO2 mass ratio of 1:1 were prepared by co-precipitation. Pt-only diesel...
2012, 28 (06): 1448-1454.
DOI: 10.3866/PKU.WHXB201204011
4221
Abstract/Metrics
1805
PDF(653KB)
Novel Method of Controlling Formation of Hot-Spot over Gold Catalysts for CO Oxidation
WANG Fang, WANG Cai-Hong, LI Da-Zhi
Au catalysts supported on Al2O3 and MOx-Al2O3 (M=Fe and Zn) were prepared by the deposition-precipitation method. Their ...
2012, 28 (06): 1455-1460.
DOI: 10.3866/PKU.WHXB201203303
3652
Abstract/Metrics
1390
PDF(800KB)
Effect of CaO Modification on Performance of CuZnAlZr Catalyst in Synthesis of Higher Alcohols from Synthesis Gas
ZHU Qiu-Feng, ZHANG Rong-Jun, HE De-Hua
CaO modified CuZnAlZr mixed oxide catalysts were prepared by mechanical mixing and co-precipitation methods, and their c...
2012, 28 (06): 1461-1466.
DOI: 10.3866/PKU.WHXB201203302
4512
Abstract/Metrics
1297
PDF(1229KB)
Effect of Surface Acidity of CuO-SBA-15 on Adsorptive Desulfurization of Fuel Oils
SHAO Xin-Chao, DUAN Lin-Hai, WU Yu-Ye, QIN Yu-Cai, YU Wen-Guang, WANG Yuan, LI Huai-Lei, SUN Zhao-Lin, SONG Li-Juan
Solid-state grinding is a simple and effective technique to incorporate active species into the channels of mesoporous m...
2012, 28 (06): 1467-1473.
DOI: 10.3866/PKU.WHXB201203312
5372
Abstract/Metrics
1653
PDF(980KB)
The Performance of the NO
x
Storage Capacity and Sulfur Tolerance of the La
0.7
Sr
0.3
Co
1-
x
Fe
x
O
3
Catalyst
MAAi-Jing, WANG Shao-Zeng, ZOU Hong-Hu, MENG Ming, LI Zhi-Jun, BAO Jun, LI Xin-Gang
In this paper, a series of La0.7Sr0.3Co1-xFexO3 (x=0, 0.2, 0.6, and 1.0) catalysts was synthesized by a sol-gel method w...
2012, 28 (06): 1474-1480.
DOI: 10.3866/PKU.WHXB201203311
4507
Abstract/Metrics
1653
PDF(782KB)
Bi
3.25
Nd
0.75
Ti
3
O
12
Nanostructures: Controllable Synthesis and Visible-Light Photocatalytic Activities
LIN Xue, GUAN Qing-Feng, LI Hai-Bo, LI Hong-Ji, BA Chun-Hua, DENG Hai-De
Neodymium-doped bismuth titanate (Bi3.25Nd0.75Ti3O12, BNdT) nanostructures with different morphologies were synthesized ...
2012, 28 (06): 1481-1488.
DOI: 10.3866/PKU.WHXB201203313
5063
Abstract/Metrics
2029
PDF(1166KB)
Enhanced Photoeletrocatalytic Activity of TiO
2
Nanotube Arrays Modified with Simple Transition Metal Oxides (Fe
2
O
3
, CuO, NiO)
CONG Yan-Qing, LI Zhe, WANG Qi, ZHANG Yi, XU Qian, FU Fang-Xia
Composite electrodes consisting of highly ordered, vertically oriented TiO2 nanotube (TiO2-NT) arrays modified with Fe2O...
2012, 28 (06): 1489-1496.
DOI: 10.3866/PKU.WHXB201203221
4938
Abstract/Metrics
2504
PDF(1694KB)
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
Improving the Efficiency of Blue Organic Light-Emitting Diodes by Employing Cs-Derivatives as the
n
-Dopant
SHEN Li-Ying, WU Xiao-Ming, HUA Yu-Lin, DONG Mu-Sen, YIN Shou-Gen, ZHENG Jia-Jin
The efficiency of organic light-emitting diodes (OLEDs) was markedly improved using the novel electron transporting mate...
2012, 28 (06): 1497-1501.
DOI: 10.3866/PKU.WHXB201203273
4517
Abstract/Metrics
2074
PDF(1382KB)
BIOPHYSICAL CHEMISTRY
Drug-Induced Changes of Topography and Elasticity in Living B Lymphoma Cells Based on Atomic Force Microscopy
LI Mi, LIU Lian-Qing, XI Ning, WANG Yue-Chao, DONG Zai-Li, XIAO Xiu-Bin, ZHANG Wei-Jing
Atomic force microscopy (AFM) provides a means for characterizing the surface topography and biophysical properties of i...
2012, 28 (06): 1502-1508.
DOI: 10.3866/PKU.WHXB201203201
4623
Abstract/Metrics
1636
PDF(3433KB)
QSAR Analysis of Human Adenosine A
3
Receptor Antagonists
QIAO Kang, ZENG Ling-Xiao, JIN Hong-Wei, LIU Zhen-Ming, ZHANG Liang-Ren
Ligand-based and receptor-based methods were implemented together to investigate the binding modes of human adenosine A3...
2012, 28 (06): 1509-1519.
DOI: 10.3866/PKU.WHXB201203272
4743
Abstract/Metrics
Supporting Info
1742
PDF(1008KB)
PHYSICAL CHEMISTRY OF MATERIALS
Cell Biocompatibility of Functionalized Graphene Oxide
ZHANG Xiao, YANG Rong, WANG Chen, HENG Cheng-Lin
We report on synthesis of nanoscale graphene oxide (NGO) by modified Hummers’method. Synthesized NGO particles wer...
2012, 28 (06): 1520-1524.
DOI: 10.3866/PKU.WHXB201203131
6020
Abstract/Metrics
2338
PDF(910KB)
Facile Synthesis of Bimodal Mesoporous Carbon with Thin Pore Walls
WANG Yu, DONG Hui, GENG Liang, YU Gang, ZHU Yue-Xiang, XIE You-Chang
Mesoporous carbon materials are required for application in various areas. In our previous work, we successfully prepare...
2012, 28 (06): 1525-1532.
DOI: 10.3866/PKU.WHXB201203271
3547
Abstract/Metrics
1535
PDF(943KB)
Optical and Phase Transition Properties of Ti
x
V
1-
x
O
2
Thin Films
HU Wen-Liang, XU Gang, MA Jian-Wei, XIONG Bin, SHI Ji-Fu
TixV1-xO2 (0≤x≤1) thin films with different molar ratios of V/Ti were prepared on c-plane sapphire (0001) substrat...
2012, 28 (06): 1533-1538.
DOI: 10.3866/PKU.WHXB201203191
4151
Abstract/Metrics
1475
PDF(3359KB)
Synthesis and Gas Sensitivity of In
2
O
3
/CdO Composite
CHEN Peng-Peng, WANG Jing, YAO Peng-Jun, DU Hai-Ying, LI Xiao-Gan
Indium oxide (In2O3) was synthesized using a hydrothermal process. The crystallography and microstructure of the synthes...
2012, 28 (06): 1539-1544.
DOI: 10.3866/PKU.WHXB201204101
4393
Abstract/Metrics
1689
PDF(730KB)
Preparation of an Ultrahigh Aspect Ratio Anodic Aluminum Oxide Template for the Fabrication of Ni Nanowire Arrays
ZHANG Hua, HU Yao-Juan, WU Ping, ZHANG Hui, CAI Chen-Xin
This work reports a two-step constant-current anodization approach for the fabrication of an anodic aluminum oxide (AAO)...
2012, 28 (06): 1545-1550.
DOI: 10.3866/PKU.WHXB201203026
5315
Abstract/Metrics
1990
PDF(1217KB)