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Acta Phys. -Chim. Sin.
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中文
Current Issue
2011 Vol. 27,No. 07
Published: 28 June 2011
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
PHYSICAL CHEMISTRY OF MATERIALS
Table of Contents
Cover and Table of Contents for Vol.27 No. 7
2011, 27 (07): 0.
1483
Abstract/Metrics
1574
PDF(3874KB)
REVIEW
Chemical Lithiation and Electroactivity of Nanomaterials
MAI Li-Qiang, YANG Shuang, HAN Chun-Hua, XU Lin, XU Xu, PI Yu-Qiang
High capacity and good cycling stability of the electrode materials are the key points to develop high-performance lithi...
2011, 27 (07): 1551-1559.
DOI: 10.3866/PKU.WHXB20110710
5932
Abstract/Metrics
2727
PDF(1640KB)
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
Influence of Methanol Addition on the Two Stage Combustion of a Dimethyl Ether/Air Mixture
ZHANG Li-Zhi, YANG Hao-Lin, ZHAO Dai-Qing, JIANG Li-Qiao
A numerical study was performed to determine the effects of methanol addition on the two stage oxidation of a dimethyl e...
2011, 27 (07): 1560-1566.
DOI: 10.3866/PKU.WHXB20110629
3873
Abstract/Metrics
1841
PDF(959KB)
Influence of Ni Chemical States on the Partial Oxidation Mechanism of Methane: An Energetics Analysis
XIA Wen-Sheng, CHANG Gang, HOU Yu-Hui, WENG Wei-Zheng, WAN Hui-Lin
An energetics analysis of the possible elementary steps involved in the partial oxidation of methane (POM) over differen...
2011, 27 (07): 1567-1573.
DOI: 10.3866/PKU.WHXB20110627
3898
Abstract/Metrics
1490
PDF(511KB)
Application and Improvement in the Ion Velocity Imaging of Threshold Photoelectron-Photoion Coincidence Measurements
ZHEN Cheng, TANG Xiao-Feng, ZHOU Xiao-Guo, LIU Shi-Lin
A series of electrodes were used to form a new accelerated electric field for ion focusing optics of a threshold photoel...
2011, 27 (07): 1574-1578.
DOI: 10.3866/PKU.WHXB20110633
3267
Abstract/Metrics
1499
PDF(732KB)
Formation, Structure and Thermal Degradation of the Supramolecular Complex between
β
-Cyclodextrin and 18-Crown-6
ZHU Lin-Hong, SONG Le-Xin, CHEN Jie, YANG Jing, WANG Mang
The formation of a 1:1 supramolecular complex between β-cyclodextrin (β-CD) and 18- crown-6 (18C6) by simply m...
2011, 27 (07): 1579-1586.
DOI: 10.3866/PKU.WHXB20110727
3351
Abstract/Metrics
Supporting Info
1520
PDF(863KB)
Crystal Structure and Surface Photoelectric Property of Mn(II) Coordination Complexes
JIN Jing, GONG Yuan-Yuan, WU Han-Qing, LI Lei, NIU Shu-Yun
Three Mn(II) complexes [Mn(SO4)(H2O)3]n (1), [Mn2.5(HPO4)(PO4)(H2O)2]n (2), [Mn(phen)2(H2O)2]?(C4H4O4)?4H2O (3) (phen=1,...
2011, 27 (07): 1587-1594.
DOI: 10.3866/PKU.WHXB20110705
5020
Abstract/Metrics
1775
PDF(1120KB)
Magnetostructural Correlation Study of a Novel Strong Antiferromagnetic Dimer Copper(II) Coordination Complex with Mono-Methyl Phthalate
JIA Li-Hui, LIU An-Chang, MU Zong-E, CHEN Yun-Feng
We prepared and obtained a novel dinuclear copper(II) coordination complex [Cu2(mMP)2(H2O)2]2·2H2O (1) using mono...
2011, 27 (07): 1595-1599.
DOI: 10.3866/PKU.WHXB20110736
3913
Abstract/Metrics
1831
PDF(581KB)
SERS Spectroscopic Characterization and Analysis of the Molecular Structure of Linkage Monolayers in Assembled Gold Nanoparticle Films
CAO Xiao-Wei, LIU Wen-Hua, LI Xin-Ran, WANG Rong, WU Xia-Qin
Molecular assembly was used to prepare a 4,4′-dithiodipyridine (PySSPy) self-assembled monolayers (SAMs) modified ...
2011, 27 (07): 1600-1608.
DOI: 10.3866/PKU.WHXB20110723
4418
Abstract/Metrics
2219
PDF(895KB)
THEORETICAL AND COMPUTATIONAL CHEMISTRY
Density Functional Theory Study on the Stability and Electronic Properties of MgF
2
Surfaces
ZHANG Li-Li, HAN Pei-De, ZHANG Cai-Li, DONG Ming-Hui, YANG Yan-Qing, GU Xiang-Yang
The structural stability and electronic properties of MgF2(010), MgF2(001), MgF2(011), and MgF2(110) surfaces were inves...
2011, 27 (07): 1609-1614.
DOI: 10.3866/PKU.WHXB20110702
4517
Abstract/Metrics
2126
PDF(668KB)
Stability and Electronic Structures of Au-Doped Silicon Nanowires
LIANG Wei-Hua, WANG Xiu-Li, DING Xue-Cheng, CHU Li-Zhi, DENG Ze-Chao, FU Guang-Sheng, WANG Ying-Long
We calculated the formation energies, band structure, density of states, and magnetic properties of Au-doped hydrogen-pa...
2011, 27 (07): 1615-1620.
DOI: 10.3866/PKU.WHXB20110729
3414
Abstract/Metrics
2303
PDF(721KB)
Electronic Structure, Mechanical Properties and Intrinsic Hardness of a New Superhard Material BeP
2
N
4
DING Ying-Chun, XIAO Bing
First-principles calculations were carried out to investigate the crystal structures, band structure, density of states,...
2011, 27 (07): 1621-1632.
DOI: 10.3866/PKU.WHXB20110730
4201
Abstract/Metrics
2340
PDF(940KB)
Theoretical Analysis of the ECD Spectra of SalenCo(III) Complexes Containing Axial Imidazole Ligands
SU Xiao-Ling, WANG Yue-Kui, WANG Yan, JIA Jie, GAO Xiao-Li
The geometries of the cobalt complexes [Co(MeO-salen)(Im)2]+, [Co(MeO-salen)(2-MeIm)2]+,and [Co(MeO-salen)(MeIm)2]+ (Im=...
2011, 27 (07): 1633-1639.
DOI: 10.3866/PKU.WHXB20110707
3892
Abstract/Metrics
1781
PDF(832KB)
Local and Long-Range Hybrid Density Functional Study on an Organic Light-Emitting Molecule with Pull-Push Structure
LIU Xiao-Jun, WANG Ning, CHENG Hao
The absorption and fluorescence spectra of 3-(dicyanomethylene)-5,5-dimethyl-1-(4-[9- carbazol]-styryl)cyclohexene (DCDC...
2011, 27 (07): 1640-1646.
DOI: 10.3866/PKU.WHXB20110718
4215
Abstract/Metrics
Supporting Info
1625
PDF(1020KB)
Hydrogen Adsorption on Zeolite Na-MAZ and Li-MAZ Clusters
LIANG Jian-Ming, ZHANG Ri-Guang, ZHAO Qiang, DONG Jin-Xiang, WANG Bao-Jun, LI Jin-Ping
Hydrogen adsorption on zeolite Na-MAZ and Li-MAZ clusters was investigated using density functional theory (DFT) with th...
2011, 27 (07): 1647-1653.
DOI: 10.3866/PKU.WHXB20110714
5182
Abstract/Metrics
2174
PDF(823KB)
A Novel Method of Nonlinear Rapid Feature Selection for High Dimensional Data and Its Application in Peptide QSAR Modeling Based on Support Vector Machine
DAI Zhi-Jun, ZHOU Wei, YUAN Zhe-Ming
Each amino acid residue of one peptide was characterized directly by 531 physicochemical property parameters. Based on s...
2011, 27 (07): 1654-1660.
DOI: 10.3866/PKU.WHXB20110735
3460
Abstract/Metrics
1693
PDF(635KB)
Electronic Structures and Second-Order Nonlinear Optical Properties of a Series of Pt―Pt Bond-Containing Metal Complexes
LIU Chun-Guang
The electronic structures and second-order nonlinear optical (NLO) properties of a series of Pt―Pt bond-containing metal...
2011, 27 (07): 1661-1665.
DOI: 10.3866/PKU.WHXB20110722
3826
Abstract/Metrics
1262
PDF(770KB)
ELECTROCHEMISTRY AND NEW ENERGY
Electrochemical Performance of Cr
2
O
3
/TiO
2
Composite Material for Lithium Ion Batteries
ZHAO Xing, ZHUANG Quan-Chao, QIU Xiang-Yun, XU Shou-Dong, SHI Yue-Li, CUI Yong-Li
The Cr2O3/TiO2 composite material was prepared by a high-temperature solid-state reaction and its structure, morphology,...
2011, 27 (07): 1666-1672.
DOI: 10.3866/PKU.WHXB20110715
3951
Abstract/Metrics
2562
PDF(855KB)
Ce-Doped Mn
3
O
4
and Its Electrochemical Capacitive Behavior
ZHANG Zi-Yu, HU Zhong-Ai, YANG Yu-Ying, WANG Huan-Wen, CHANG Yan-Qin, CHEN Yan-Li, LEI Zi-Qiang
Mn3O4 and Ce doped Mn3O4 were synthesized via a sol-gel route using metal nitrates as raw materials and citric acid as t...
2011, 27 (07): 1673-1678.
DOI: 10.3866/PKU.WHXB20110709
3824
Abstract/Metrics
2349
PDF(861KB)
Preparation and Characterization of Peasecod-Based Activated Carbons as Electrode Materials for Electrochemical Double-Layer Capacitors
CAO Guo-Fei, LIAO Yi, ZHANG Xiao-Hua, CHEN Jin-Hua
Activated carbons for electrochemical double-layer capacitor electrodes were prepared from peasecod-based carbons using ...
2011, 27 (07): 1679-1684.
DOI: 10.3866/PKU.WHXB20110623
3473
Abstract/Metrics
1836
PDF(584KB)
Catalytic Performance of Pt Nanowire Arrays for Oxygen Reduction
ZHANG Min, LI Jing-Jian, PAN Mu, XU Dong-Sheng
Platinum nanowire arrays (Pt NWs) catalyst was fabricated by electrodepositing with anodic aluminum oxide (AAO) as a tem...
2011, 27 (07): 1685-1688.
DOI: 10.3866/PKU.WHXB20110726
4055
Abstract/Metrics
Supporting Info
2009
PDF(742KB)
Performance Improvement of Polyethylene-Supported PAMS Electrolyte Using Urea as Foaming Agent
CHEN Lang, RAO Mu-Min, LI Wei-Shan, XU Meng-Qing, LIAO You-Hao, TAN Chun-Lin, YI Jin
Poly(acrylonitrile-methyl methacrylate-styrene) (PAMS) was synthesized by emulsion polymerization and a polyethylene (PE...
2011, 27 (07): 1689-1694.
DOI: 10.3866/PKU.WHXB20110712
4454
Abstract/Metrics
1976
PDF(702KB)
Effects of Tetrahydrofuran Pretreatment on the Performance of Pyrrole Modified Li Metal Electrode
WU Mei-Fen, WEN Zhao-Yin, LIU Yu
To get rid of impurities on a Li surface and avoid hydrogen gas generation during the preparation of a lithium pyrrolide...
2011, 27 (07): 1695-1700.
DOI: 10.3866/PKU.WHXB20110708
4077
Abstract/Metrics
1703
PDF(754KB)
DSSCs Using a Nanoparticle/Nanorod Composite TiO
2
Film as a Photoanode
LIU Run-Hua, ZHANG Sen, XIA Xin-Yuan, YUN Da-Qin, BIAN Zu-Qiang, ZHAO Yong-Liang
TiO2 anatase nanorods (ANR) were synthesized by a two-step hydrothermal method. The materials were characterized by X-ra...
2011, 27 (07): 1701-1706.
DOI: 10.3866/PKU.WHXB20110734
4013
Abstract/Metrics
2559
PDF(860KB)
Synthesis and Cyclic Hydrogenation Properties of Magnesium Ultrafine Nanoparticles Prepared by Acetylene Plasma
ZHANG Xuan-Zhou, YANG Jun-Zhi, SONG Ping, TIAN Wen-Huai, LI Xing-Guo
Ultrafine Mg nanoparticles of around 40 nm in size were prepared by an acetylene plasma metal reaction, which is a revis...
2011, 27 (07): 1707-1711.
DOI: 10.3866/PKU.WHXB20110622
3582
Abstract/Metrics
1472
PDF(863KB)
SOFT MATTER
pH Responsive Self-Assembly of HPAM-HEC in Aqueous Solution
FANG Yun, LAI Zhong-Yu, PANG Ping-Ping, JIANG Ming
A low-molecular-weight partially hydrolyzed polyacrylamide (HPAM) was synthesized because of its similar segment distrib...
2011, 27 (07): 1712-1718.
DOI: 10.3866/PKU.WHXB20110703
4111
Abstract/Metrics
1927
PDF(769KB)
Synthesis of
π
-Conjugated Triphenylbenzene Derivatives and Their Gelling Property
LUO Xu-Zhong, WANG Qiong, ZHONG Jin-Lian, PAN Hong, CHEN Zhi-Xing
A series of discotic molecules containing triphenylbenzene group and three monochains were synthesized and their self-as...
2011, 27 (07): 1719-1724.
DOI: 10.3866/PKU.WHXB20110720
3454
Abstract/Metrics
Supporting Info
1663
PDF(683KB)
CATALYSIS AND SURFACE SCIENCE
Melting Point and Structure of Ionic Liquid [EMIM][PF
6
] on the Surface of Nano-SiO
x
Particles
LIU Yu-Sheng, FU Hai-Ying, TANG Zhong-Feng, HUANG Wei, WU Guo-Zhong
The 1-ethyl-3-methyl imidazolium hexafluorophosphate ionic liquid ([EMIM][PF6]) was absorbed onto the surfaces of severa...
2011, 27 (07): 1725-1729.
DOI: 10.3866/PKU.WHXB20110731
4020
Abstract/Metrics
1745
PDF(534KB)
Catalytic Activities for the Complete Oxidation of Ethylene over Au-Cu/Co
3
O
4
Catalysts
XUE Wen-Juan, ZHANG Xin-Yan, LI Peng, LIU Zhao-Tie, HAO Zheng-Ping, MA Chun-Yan
A series of Au-Cu/Co3O4 catalysts with different mass fractions of Cu were synthesized by a two-step method that consist...
2011, 27 (07): 1730-1736.
DOI: 10.3866/PKU.WHXB20110719
4657
Abstract/Metrics
3694
PDF(1059KB)
Effect of Boron Promoter on the Structure and Hydrodesulfurization Activity of Ni
2
P/SBA-15 Catalysts
ZHAO Peng-Fei, JI Sheng-Fu, WEI Ni, MA Qian, LIU Hui, LI Cheng-Yue
The catalyst precursors of B-Ni2P/SBA-15 were synthesized by co-impregnation using (NH4)2HPO4 as the source of phosphoru...
2011, 27 (07): 1737-1742.
DOI: 10.3866/PKU.WHXB20110728
3535
Abstract/Metrics
1597
PDF(2201KB)
Fabrication of Mesoporous NiAl
2
O
4
Nanorods and Their Catalytic Properties for Toluene Hydrocracking
SHEN Shan-Shan, LU Wen-Cong, ZHANG Liang-Miao, YUE Bao-Hua, HAN Ling, ZHANG Hao
Mesoporous single-crystalline NiAl2O4 nanorods were successfully synthesized by a one-step hydrothermal method using a p...
2011, 27 (07): 1743-1750.
DOI: 10.3866/PKU.WHXB20110711
3657
Abstract/Metrics
1633
PDF(909KB)
Effects of Surface Areas and Adsorption Strength on the Photoactivity and Decomposition Kinetics of Acid Red 27 over TiO
2
-Coated/Activated Carbon Composites
LI You-Ji, CHEN Wei, LI Lei-Yong
TiO2-coated/activated carbon composites (TCS) were prepared by supercritical pretreatment and sol-gel processing. The pr...
2011, 27 (07): 1751-1756.
DOI: 10.3866/PKU.WHXB20110701
5829
Abstract/Metrics
1954
PDF(1636KB)
In situ
Study of Self Assembly of Gold Nanoparticles and Cytochrome c by Polarized Optical Waveguide Spectroscopy
ZHANG Rong-Jun, QI Zhi-Mei, ZHANG Zhe
Time-resolved polarized optical waveguide spectroscopy is a powerful technique for the kinetic study of the adsorption o...
2011, 27 (07): 1757-1762.
DOI: 10.3866/PKU.WHXB20110716
3343
Abstract/Metrics
1740
PDF(702KB)
Preparation, Characterization and Adsorption Mechanism for Phenols of CTMAB-ZrP
YAO Wei, WANG Hong-Ning, WANG Jian-Wu, ZHONG Jing, CHEN Ruo-Yu
Cetyltrimethyl ammonium bromid (CTMAB)-ZrP complexes that contained different amounts of CTMAB that intercalate into &al...
2011, 27 (07): 1763-1771.
DOI: 10.3866/PKU.WHXB20110704
4297
Abstract/Metrics
1693
PDF(836KB)
PHYSICAL CHEMISTRY OF MATERIALS
Synthesis of Ordered Mesoporous Carbon Loaded Fe, Co, Ni Nanocrystals by the Soft Templating Route and Their Characterization
LI Jian-Sheng, GU Juan, LING Xiao-Feng, SUN Xiu-Yun, SHEN Jin-You, HAN Wei-Qing, WANG Lian-Jun
We report a one-step method for the synthesis of M(Fe, Co, Ni) nanocrystals supported by ordered mesoporous carbon (OMC)...
2011, 27 (07): 1772-1776.
DOI: 10.3866/PKU.WHXB20110613
5034
Abstract/Metrics
2945
PDF(904KB)
Preparation and Characterization of a Polymeric Dielectric Film with a Low Surface Free Energy
LIU Ying-Hui, KANG Zhi-Xin
A polymeric nanofilm with a low surface free energy and high dielectric constant on the surface of a Mg-Mn-Ce magnesium ...
2011, 27 (07): 1777-1782.
DOI: 10.3866/PKU.WHXB20110725
3493
Abstract/Metrics
1818
PDF(660KB)