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Acta Phys. -Chim. Sin.
Acta Phys. -Chim. Sin.
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中文
Current Issue
2011 Vol. 27,No. 04
Published: 29 March 2011
Current column
Table of Contents
Communication
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
THEORETICAL AND COMPUTATIONAL CHEMISTRY
ELECTROCHEMISTRY AND NEW ENERGY
SOFT MATTER
CATALYSIS AND SURFACE SCIENCE
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
PHYSICAL CHEMISTRY OF MATERIALS
Table of Contents
Cover and Table of Contents for Vol.27 No. 4
2011, 27 (04): 0.
1815
Abstract/Metrics
1636
PDF(8663KB)
Communication
Electrodeposition and Electrochemical Property of Porous Li-Si Film Anodes for Lithium-Ion Batteries
Lü Rong-Guan, YANG Jun, WANG Jiu-Lin, NULI Yan-Na
Porous Li-Si thin films (LSFs) were prepared by a multi-step constant current electrodeposition onto Cu foil. The struct...
2011, 27 (04): 759-763.
DOI: 10.3866/PKU.WHXB20110415
5631
Abstract/Metrics
2509
PDF(595KB)
Electrochemical Fabrication and Pseudocapacitive Performance of a Porous Nanostructured Nickel-Based Complex Film Electrode
KONG De-Shuai, WANG Jian-Ming, PI Ou-Yang, SHAO Hai-Bo, ZHANG Jian-Qing
A porous nickel film was prepared by the selective anodic dissolution of copper from an electrodeposited Ni-Cu alloy fil...
2011, 27 (04): 764-768.
DOI: 10.3866/PKU.WHXB20110427
5704
Abstract/Metrics
3259
PDF(586KB)
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
Penetrating Depth of Laser Focus in a Spherical Droplet during Confocal Raman Measurements
WANG Feng, ZHANG Yue, ZHANG Yun-Hong
In this paper we attempt to establish a theoretical model to deal with the laser focusing problem during confocal Raman ...
2011, 27 (04): 769-773.
DOI: 10.3866/PKU.WHXB20110402
5386
Abstract/Metrics
1721
PDF(981KB)
Weak Interactions in Asymmetric Porphyrin Systems
ZHANG Xiao-Hong, GUO Hong-Rui, JIAO Zhi, YAN Wei-Wei, RUAN Wen-Juan, ZHU Zhi-Ang
The weak interactions of 5-imidazolylmethylphenyl-10,15,20-tri-tert-butylphenylporphyrin (1) and 5-imidazolylmethylpheny...
2011, 27 (04): 774-780.
DOI: 10.3866/PKU.WHXB20110432
5074
Abstract/Metrics
2363
PDF(3432KB)
THEORETICAL AND COMPUTATIONAL CHEMISTRY
Vibrational Spectroscopy Criteria to Determine α-Pyridyl Adsorbed on Transition Metal Surfaces
SU Shu, HUANG Rong, ZHAO Liu-Bin, WU De-Yin, TIAN Zhong-Qun
Density functional theory calculations at the B3LYP/6-311+G**/LANL2DZ(metal) level were used to predict the infrared (IR...
2011, 27 (04): 781-792.
DOI: 10.3866/PKU.WHXB20110418
4871
Abstract/Metrics
2207
PDF(4228KB)
Reaction Mechanism of Acetylene Hydrogenation Catalyzed by Pd
8
Cluster
LI Jun-Nan, PU Min, HE Shu-Heng, HE Jing, EVANS David G.
The mechanism of acetylene hydrogenation catalyzed by Pd8 cluster was investigated by density functional theory (DFT) me...
2011, 27 (04): 793-800.
DOI: 10.3866/PKU.WHXB20110332
6924
Abstract/Metrics
2741
PDF(847KB)
Anionic Production Pathways Involved in the Reaction between OH
-
and CH
2
ClF
SONG Lei, YU Feng, WU Li-Xia, ZHOU Xiao-Guo, LIU Shi-Lin
The anionic production pathways involved in the reaction between hydroxide anion (OH-) and chlorofluoromethane (CH2ClF) ...
2011, 27 (04): 801-807.
DOI: 10.3866/PKU.WHXB20110409
5129
Abstract/Metrics
2715
PDF(672KB)
First-Principles Investigation on the Interaction of Au
n
(
n
=2-9) Clusters with Ethanol
YU Yong-Jiang, WANG Hua-Yang, YANG Chuan-Lu, CHEN Jian-Nong
The adsorption property of a single ethanol molecule on Aun(n=2-9) clusters was investigated using density functional th...
2011, 27 (04): 808-814.
DOI: 10.3866/PKU.WHXB20110407
5440
Abstract/Metrics
2104
PDF(738KB)
Molecular Dynamics Simulation of the Diffusion Behavior of Water Molecules in Oil and Cellulose Composite Media
LIAO Rui-Jin, ZHU Meng-Zhao, ZHOU Xin, YANG Li-Jun, YAN Jia-Ming, SUN Cai-Xin
The diffusion behaviors of water molecules in oil-cellulose composite media were studied at different temperatures using...
2011, 27 (04): 815-824.
DOI: 10.3866/PKU.WHXB20110341
6028
Abstract/Metrics
3177
PDF(11279KB)
Dynamics Simulation of a New Deactivation Pathway for Stacked Adenines
YUAN Shuai, ZHANG Wen-Ying, LI An-Yang, ZHU Yi-Min, DOU Yu-Sheng
A semiclassical dynamics simulation study was undertaken to investigate the deactivation of the lowest excited state of ...
2011, 27 (04): 825-830.
DOI: 10.3866/PKU.WHXB20110337
4463
Abstract/Metrics
1629
PDF(4672KB)
Stability and Aromaticity of XB
6
+
(X=C, Si, Ge, Sn, Pb) Clusters
GONG Liang-Fa, WU Xin-Min, LI Wei, QI Chuan-Song
The geometries, stability and chemical bonding of XB6+(X=C, Si, Ge, Sn, Pb) clusters were investigated using ab initio (...
2011, 27 (04): 831-836.
DOI: 10.3866/PKU.WHXB20110412
5267
Abstract/Metrics
1905
PDF(582KB)
Structure, Spectroscopy and Reactivity of H
2
S Bonding to Metal(II) Porphyrins
ZHONG Ai-Guo, HUANG Ling, JIANG Hua-Jiang
We investigated eight divalent metal cations M(II) (M=Ca, Mg, Mn, Zn, Cu, Ni, Fe, Co) for the formation of singly H2S-bo...
2011, 27 (04): 837-845.
DOI: 10.3866/PKU.WHXB20110323
5559
Abstract/Metrics
2165
PDF(4513KB)
Electronic Structures and Optical Properties of the O Vacancy in ZnO
CHENG Li, ZHANG Zi-Ying, SHAO Jian-Xin
The electronic structures and optical properties of ZnO0.875 were calculated by the ultra-soft pseudo-potential plane wa...
2011, 27 (04): 846-850.
DOI: 10.3866/PKU.WHXB20110324
7630
Abstract/Metrics
2815
PDF(662KB)
Adhesion of Small Cu
x
(
x
=1-4) Clusters on a CeO
2
(111) Surface
YANG Zong-Xian, XIE Luo-Gang
We investigated the adhesion behavior of Cu clusters (Cux, x=1-4) on a CeO2(111) surface using first-principles density ...
2011, 27 (04): 851-857.
DOI: 10.3866/PKU.WHXB20110405
5553
Abstract/Metrics
2224
PDF(661KB)
ELECTROCHEMISTRY AND NEW ENERGY
Preparation of Pt/Graphene Catalyst and Its Catalytic Performance for Oxygen Reduction
LI Yun-Xia, WEI Zi-Dong, ZHAO Qiao-Ling, DING Wei, ZHANG Qian, CHEN Si-Guo
Graphene (Gr) is synthesized by the direct reduction of tetrachloroethylene with sodium in paraffin oil rather than by t...
2011, 27 (04): 858-862.
DOI: 10.3866/PKU.WHXB20110411
7891
Abstract/Metrics
7303
PDF(686KB)
Synthesis and Electrical Properties of La
2
(Mo
1-
x
V
x
)
2
O
9-α
XU Jia, ZHANG Ming, XU Jian-Hong, MA Gui-Lin
A series of ceramic samples La2(Mo1-xVx)2O9-α (x = 0.02, 0.04, 0.06, 0.08) were synthesized by a solid-state react...
2011, 27 (04): 863-868.
DOI: 10.3866/PKU.WHXB20110408
4575
Abstract/Metrics
1599
PDF(718KB)
Effects of Mixed Solvents on the High-Rate Performance of Li
3
V
2
(PO
4
)
3
/C Prepared by Sol-Gel Method
TANG Yan, ZHONG Ben-He, GUO Xiao-Dong, LIU Heng, ZHONG Yan-Jun, NIE Xiang, TANG Hong
A Li3V2(PO4)3/C composite cathode material was obtained by a sol-gel method using deionized water and organic solvents a...
2011, 27 (04): 869-874.
DOI: 10.3866/PKU.WHXB20110416
5991
Abstract/Metrics
2308
PDF(6925KB)
Photovoltaic Performance Improvement of P3HT:PCBM Polymer Solar Cells by Annealing Treatment
ZHUO Zu-Liang, ZHANG Fu-Jun, XU Xiao-Wei, WANG Jian, LU Li-Fang, XU Zheng
Several polymer solar cells consisting of ITO/PEDOT:PSS/P3HT:PCBM/Al (indium tin oxide/ poly(3,4-ethylenedioxythiophene)...
2011, 27 (04): 875-880.
DOI: 10.3866/PKU.WHXB20110414
7926
Abstract/Metrics
4262
PDF(790KB)
TiO
2
Thin-Film Electrode Modified by Co-Adsorbents
LI Jie, KONG Fan-Tai, WU Guo-Hua, ZHANG Chang-Neng, DAI Song-Yuan
A co-adsorbents modified nanocrystalline TiO2 thin-film electrode was studied for application in dye-sensitized solar ce...
2011, 27 (04): 881-886.
DOI: 10.3866/PKU.WHXB20110413
4866
Abstract/Metrics
2553
PDF(706KB)
Pseudo-Capacitive and Electrocatalytic Properties of Electrochemically Modified Graphite Electrode in Different Solutions
FAN Xin-Zhuang, LU Yong-Hong, KONG Xiang-Feng, XU Hai-Bo, WANG Jia
A graphite electrode (GE) was electrochemically modified by recurrent galvanic pulses. The pseudo-capacitive behavior in...
2011, 27 (04): 887-892.
DOI: 10.3866/PKU.WHXB20110426
5419
Abstract/Metrics
2178
PDF(590KB)
Effects of Thermal Treatment on the Electrochemical Behavior of Manganese Dioxide
MI Juan, WANG Yu-Ting, GAO Peng-Cheng, LI Wen-Cui
Manganese dioxide (MnO2) was synthesized using a fluid phase method with potassium permanganate and manganous acetate as...
2011, 27 (04): 893-899.
DOI: 10.3866/PKU.WHXB20110431
5382
Abstract/Metrics
3229
PDF(8117KB)
Electrochemical Preparation of a Ni-W-P Nanowire Array and Its Photoelectrocatalytic Activity for the Hydrogen Evolution Reaction
ZHANG Wei-Guo, SHANG Yun-Peng, LIU Li-Na, YAO Su-Wei, WANG Hong-Zhi
A Ni-W-P alloy nanowire array was fabricated in the nanochannels of an aluminum anodic oxide (AAO) membrane by electrode...
2011, 27 (04): 900-904.
DOI: 10.3866/PKU.WHXB20110344
5298
Abstract/Metrics
2461
PDF(641KB)
Inhibition of Ethyleneamine on the Pitting Corrosion of Rebar in a Synthetic Carbonated Concrete Pore Solution
DONG Ze-Hua, ZHU Tao, SHI Wei, GUO Xing-Peng
Tetraethylenepentamine (TEPA) was surveyed to show strong inhibition on pitting corrosion of Q345B carbon steel in a car...
2011, 27 (04): 905-912.
DOI: 10.3866/PKU.WHXB20110336
5012
Abstract/Metrics
1949
PDF(875KB)
SOFT MATTER
Effect of Sodium Salicylate on the Formation and Properties of Wormlike Micelles in Aqueous Cationic Gemini Surfactant Solutions
PEI Xiao-Mei, ZHAO Jian-Xi, WEI Xi-Lian
The effect of sodium salicylate (NaSal) on the formation and properties of wormlike micelles in aqueous solutions of 2-h...
2011, 27 (04): 913-917.
DOI: 10.3866/PKU.WHXB20110420
5096
Abstract/Metrics
2094
PDF(743KB)
Synthesis and Self-Assembly of an Oligoaramide Containing Multiple Hydrogen Bonds
LIU Yun, HE You-Zhou, YUAN Li-Hua, FENG Wen
An oligoaramide duplex containing multiple hydrogen bonds was found to undergo self-assembly in the absence of its corre...
2011, 27 (04): 918-924.
DOI: 10.3866/PKU.WHXB20110403
4854
Abstract/Metrics
2044
PDF(799KB)
CATALYSIS AND SURFACE SCIENCE
Catalytic Combustion of Diesel Soot over Ce
0.5+
x
Zr
0.4-
x
La
0.1
O
2
-Al
2
O
3
Catalysts
ZHU Yi, WANG Jian-Li, CHEN Yong-Dong, LIAO Chuan-Wen, WANG Shi-Dan, GONG Mao-Chu, CHEN Yao-Qiang
Ce0.5+x Zr0.4-x La0.1O2-Al2O3 catalysts were prepared by co-precipitation, where 0≤x≤0.4 and the mass ratio of Ce0...
2011, 27 (04): 925-931.
DOI: 10.3866/PKU.WHXB20110343
4700
Abstract/Metrics
1709
PDF(759KB)
Synthesis and Visible Light Photocatalytic Activity of Cross-Linked Sodium Rectorite/Cu
2
O Nanocomposites
CHEN Jin-Yi, LI Nian, LI Jing, ZHU Liang, PENG Chang-Jun
CN-REC/Cu2O nanocomposites were synthesized with Cu(CH3COO)2·H2O as a copper source and cross-linked sodium recto...
2011, 27 (04): 932-938.
DOI: 10.3866/PKU.WHXB20110329
5044
Abstract/Metrics
2192
PDF(723KB)
Visible-Light-Driven Catalytic Properties and First-Principles Study of Fluorine-Doped TiO
2
Nanotubes
SU Ya-Ling, LI Yi, DU Ying-Xun, LEI Le-Cheng
Improving the photocatalytic activity and the utilization of visible light of TiO2 is the most important research topics...
2011, 27 (04): 939-945.
DOI: 10.3866/PKU.WHXB20110401
5390
Abstract/Metrics
2656
PDF(5056KB)
Gold Supported on Aminosilane-Functionalized SBA-15 for Chemoselective Hydrogenation of Crotonaldehyde
TIAN Li, ZHOU Gong-Bing, LI Zhen-Hua, PEI Yan, QIAO Ming-Hua, FAN Kang-Nian
Three kinds of aminosilane (APTS: 3-aminopropyltrimethoxysilane, TPED: N-[3-(trimethoxysilyl)-propylethylene]diamine, TP...
2011, 27 (04): 946-952.
DOI: 10.3866/PKU.WHXB20110434
5192
Abstract/Metrics
1758
PDF(738KB)
Preparation and Characterization of NiB Amorphous Alloy Modified Using Chitosan
WU Mei-Xia, LI Wei, ZHANG Ming-Hui, TAO Ke-Yi
NiB amorphous alloy catalyst (NiB-CS) was prepared by direct reduction using the chemical- reduction method with chitosa...
2011, 27 (04): 953-958.
DOI: 10.3866/PKU.WHXB20110342
4907
Abstract/Metrics
1730
PDF(735KB)
High-Temperature Synthesis of Zeolite Y
SHAN Zhi-Chao, LIU Si-Yu, LI Cai-Jin, ZHU Long-Feng, MENG Xiang-Ju, XIAO Feng-Shou
We hydrothermally synthesized sheet-like crystals of zeolite Y at high temperature (140 °C) using methyltriethoxysil...
2011, 27 (04): 959-964.
DOI: 10.3866/PKU.WHXB20110417
6039
Abstract/Metrics
2312
PDF(614KB)
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
Ultrafast Dynamics of the First Excited State of Chlorobenzene
LIU Yu-Zhu, QIN Chao-Chao, ZHANG Song, WANG Yan-Mei, ZHANG Bing
Ultrafast dynamics of the first excited state (S1) of chlorobenzene was studied using a combination of femtosecond time-...
2011, 27 (04): 965-970.
DOI: 10.3866/PKU.WHXB20110404
5098
Abstract/Metrics
1984
PDF(736KB)
Transient Absorption Spectroscopy of the Effects of the Ionic Liquid [bmim][BF
4
] on the Photochemical Reactions of Benzil
ZHU Guang-Lai, WU Guo-Zhong, CUI Zhi-Feng, XU Xin-Sheng
Using benzil (BZ) as a probe molecule, the photochemical properties of the ionic liquid (IL) 1-butyl-3-methylimidazolium...
2011, 27 (04): 971-976.
DOI: 10.3866/PKU.WHXB20110421
5398
Abstract/Metrics
1779
PDF(652KB)
Synthesis of Poly(9,9-diallylfluorene) and the Mechanism of Its Single Green Emission
XIAO Lixin, HU Shuangyuan, KONG Sheng, CHEN Zhijian, QU Bo, GONG Qihuang
Poly(9,9-diallylfluorene) (PAF) with single green emission was synthesized through polymerization of allyl substituted 2...
2011, 27 (04): 977-982.
DOI: 10.3866/PKU.WHXB20110325
5579
Abstract/Metrics
2040
PDF(644KB)
PHYSICAL CHEMISTRY OF MATERIALS
Characterization and Anion Emission Characteristics of the Microporous Crystal Cs-C12A7
NING Shen, SHEN Jing, LI Xing-Long, XU Yong, LI Quan-Xin
Cesium-12CaO·7Al2O3 (Cs-C12A7) was fabricated by adding CsI to the C12A7 surface using incipient wetness impregna...
2011, 27 (04): 983-989.
DOI: 10.3866/PKU.WHXB20110410
4839
Abstract/Metrics
Supporting Info
1880
PDF(671KB)
Synthesis, Structure and Characterization of Pb
1-
x
Tb
x
Ti
1-
x
Mn
x
O
3
(0≤
x
≤0.10) Solid Solutions
FAN Min, LI Guo-Bao, WANG Dong-Wei, JIN Tou-Nan, LIAO Fu-Hui, LIN Jian-Hua
Solid solutions of Pb1-xTbxTi1-xMnxO3 (0≤x≤0.10) were synthesized by a traditional solid state reaction and charac...
2011, 27 (04): 990-994.
DOI: 10.3866/PKU.WHXB20110428
4526
Abstract/Metrics
1828
PDF(730KB)