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Acta Phys. -Chim. Sin.
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中文
Current Issue
2012 Vol. 28,No. 05
Published: 26 April 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
BIOPHYSICAL CHEMISTRY
PHYSICAL CHEMISTRY OF MATERIALS
Table of Contents
Cover and Table of Contents for Vol.28 No. 5
2012, 28 (05): 0.
1600
Abstract/Metrics
1784
PDF(7497KB)
REVIEW
Magnetic Iron Oxide Nanoparticle——an Important Cornerstone of MR Molecular Imaging of Tumors
QIAO Rui-Rui, ZENG Jian-Feng, JIA Qiao-Juan, DU Jun, SHEN Lin, GAO Ming-Yuan
This review summaries the syntheses and applications of magnetic iron oxide nanocrystals that have been published worldw...
2012, 28 (05): 993-1011.
DOI: 10.3866/PKU.WHXB201203023
5989
Abstract/Metrics
5483
PDF(5755KB)
Review of Oxygen Vacancies in CeO
2
-doped Solid Solutions as Characterized by Raman Spectroscopy
LI Lan, HU Geng-Shen, LU Ji-Qing, LUO Meng-Fei
This review summarizes the current status of the evolution and observation of oxygen vacancies in CeO2-doped solid solut...
2012, 28 (05): 1012-1020.
DOI: 10.3866/PKU.WHXB201203052
5206
Abstract/Metrics
3682
PDF(1122KB)
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
Phase Relationship, Structure and Cationic Distribution of Oxides in the Mn
3
O
4
-Fe
2
O
3
System Synthesized at 1200 ℃
WANG Rong, YANG Cheng-Xu, SHI Ying-Guo, SUN Yu-Zeng, LI Guo-Bao, JIN Tou-Nan, QIN Gao-Wu, LIAO Fu-Hui, LIN Jian-Hua
A series of oxides in the Mn3O4-Fe2O3 system have been synthesized at 1200 ℃ in air, followed by quenching to room tempe...
2012, 28 (05): 1021-1029.
DOI: 10.3866/PKU.WHXB201202271
6269
Abstract/Metrics
1759
PDF(1316KB)
Determination of Acid Dissociation Constant of Methyl Red by Multi-Peaks Gaussian Fitting Method Based on UV-Visible Absorption Spectrum
ZHANG Jian-Hua, LIU Qiong, CHEN Yu-Miao, LIU Zhao-Qing, XU Chang-Wei
UV-visible electronic absorption spectra of methyl red aqueous solutions are characterized by the overlap of a principal...
2012, 28 (05): 1030-1036.
DOI: 10.3866/PKU.WHXB201203025
15787
Abstract/Metrics
4344
PDF(1909KB)
Quasi-Elastic Neutron Scattering Spectroscopy of the 1-Propanol/Water Solution by Molecular Dynamics Simulations
ZHANG Xia, ZHANG Qiang, ZHAO Dong-Xia
Quasi-elastic neutron scattering (QENS) spectroscopy as an important tool can be used to extract the molecular dynamic p...
2012, 28 (05): 1037-1044.
DOI: 10.3866/PKU.WHXB201203072
4365
Abstract/Metrics
1936
PDF(838KB)
Vibrational Internal Energy of Chloromethyl Radical Formed by the Photodissociation of CH
2
BrCl at 265 nm
ZHANG Xiu, WU Dong, TANG Bi-Feng
Photodissociation of CH2BrCl was investigated around 265 nm using resonance-enhanced multiphoton ionization technique co...
2012, 28 (05): 1045-1053.
DOI: 10.3866/PKU.WHXB201203061
4107
Abstract/Metrics
1483
PDF(1825KB)
Synthesis of Tailed Porphyrin Modified with Nicotinic Acid and Interactions with Human Serum Albumin
PENG Yu-Ling, WANG Shu-Jun, FU Li, ZHANG Cheng-Gen, LIU Xin-Gang
Free porphyrins, namely o-(niacin)C2O-T(3p-OCH3)PP and p-(niacin)C2O-T(3p-OCH3)PP, their complexes, o-(niacin)C2O-T(3p-O...
2012, 28 (05): 1054-1062.
DOI: 10.3866/PKU.WHXB201202222
4119
Abstract/Metrics
1550
PDF(717KB)
THEORETICAL AND COMPUTATIONAL CHEMISTRY
First-Principles Study of H
2
Dissociative Adsorption Reactions on WO
3
Surfaces
TIAN Xiang-Gui, ZHANG Yue, YANG Tai-Sheng
The reaction mechanism of H2 dissociative adsorption on WO3 surfaces was studied by a first-principles method. Calculati...
2012, 28 (05): 1063-1069.
DOI: 10.3866/PKU.WHXB201203021
4849
Abstract/Metrics
2483
PDF(3033KB)
Molecular Transport through Finite-Length Carbon Nanotubes
LÜ Yong-Jun, CHEN Min
The transport of helium molecules in open and finite-length single-walled carbon nanotubes was studied using non-equilib...
2012, 28 (05): 1070-1076.
DOI: 10.3866/PKU.WHXB201202213
4163
Abstract/Metrics
1746
PDF(2606KB)
Molecular Dynamics Simulation of Thermal Transport Properties for Boron Nitride Nanotubes
GAO Yu-Fei, MENG Qing-Yuan, ZHANG Lu, LIU Jia-Qiu, JING Yu-Hang
The Boltzmann-Peierls phonon transport equation (BTE) and non-equilibrium molecular dynamics simulation (NEMD) are used ...
2012, 28 (05): 1077-1084.
DOI: 10.3866/PKU.WHXB201202273
5006
Abstract/Metrics
2523
PDF(2012KB)
Electronic Absorption Spectra of
Meso
-Substituted Porphyrins and Their Zinc Derivatives
CAO Zhen-Feng, CHEN Qi-Bin, LU Yun-Xiang, LIU Hong-Lai, HU Ying
Meso-substituted porphyrin derivatives have demonstrated great potential as sensing materials for toxic gas detection. I...
2012, 28 (05): 1085-1093.
DOI: 10.3866/PKU.WHXB201203024
4854
Abstract/Metrics
Supporting Info
1726
PDF(1235KB)
Photolysis Reaction of 2-Phenylbenzo[d]oxazole
LI Hui-Xue, WANG Xiao-Feng, LI Zhi-Feng, ZHU Yuan-Cheng
The temperature-resilient, high tensile-strength fiber poly[p-phenylene benzobisoxazole] (PBO) is light-unstable and it ...
2012, 28 (05): 1094-1100.
DOI: 10.3866/PKU.WHXB201203062
4191
Abstract/Metrics
1449
PDF(1698KB)
A DFT Study of Methane Adsorption on Nitrogen-Containing Organic Heterocycles
JIANG Qian, CHU Wei, SUN Wen-Jing, LIU Feng-Si, XUE Ying
In coal, nitrogen exists in a variety of forms. We presented 11 compounds of different hybridization forms and nitrogen ...
2012, 28 (05): 1101-1106.
DOI: 10.3866/PKU.WHXB201203054
5994
Abstract/Metrics
Supporting Info
1638
PDF(1270KB)
Reaction Pathways of Acetylene Adsorption on the Ge(001) Surface
FAN Xiao-Li, LIU Yan, LIU Chong, LAU Woon-Ming
The adsorption reaction of acetylene on the Ge(001) surface is investigated by first-principles calculations. In order t...
2012, 28 (05): 1107-1112.
DOI: 10.3866/PKU.WHXB201203011
5885
Abstract/Metrics
1345
PDF(2090KB)
Structure and Stability of Compounds with Planar Pentacoordinate Carbons and Planar Tetracoordinate Carbons
WU Lin-Feng, LI Fei-Fei, ZHANG Cong-Jie
We have investigated the structures, gaps, IR spectra, electronic spectra, Wiberg bond indices (WBIs), and aromaticity o...
2012, 28 (05): 1113-1119.
DOI: 10.3866/PKU.WHXB201203071
4357
Abstract/Metrics
1344
PDF(1618KB)
Evolution of the Molecular Face during the Reaction Process of F
-
+CH
3
Cl→CH
3
F+Cl
-
ZHANG Ming-Bo, GONG Li-Dong
Bimolecular nucleophilic substitution (SN2) reactions are among the fundamental organic reactions, in which electron tra...
2012, 28 (05): 1120-1126.
DOI: 10.3866/PKU.WHXB201203082
4421
Abstract/Metrics
1477
PDF(768KB)
ELECTROCHEMISTRY AND NEW ENERGY
Effect of pH and Au Nanoparticles on Cytochrome c Investigated by Electrochemistry and UV-Vis Absorption Spectroscopy
WANG Yan-Yan, JIANG Yan-Xia, SUSHAAndrei, ROGACH Andrey, SUN Shi-Gang
In this paper, gold nanoparticles (NPs) with an average size of (4.7 ± 0.6) nm, capped with mercaptopropionic aci...
2012, 28 (05): 1127-1133.
DOI: 10.3866/PKU.WHXB201203073
4963
Abstract/Metrics
2136
PDF(1751KB)
Fabrication and Characterization of Quasi-Solid-State Electrolyte Films Based on Polyvinyl Butyral
ZHOU Wei, HUANG Qi-Yu, WANG Xiao-Chen, QI Fang-Yi, JIAO Fang, ZHENG Yi-Zhou
The preparation and properties of quasi-solid-state electrolyte films based on polyvinyl butyral were studied. The films...
2012, 28 (05): 1134-1138.
DOI: 10.3866/PKU.WHXB201203051
3951
Abstract/Metrics
1798
PDF(993KB)
New Comb-Like Copolymer for Quasi-Solid Electrolyte Based Dye-Sensitized Solar Cells and Its Effects on Electron Recombination
ZHANG Ren-Kai, SUN Zhe, XIE Huan-Huan, LIANG Mao, XUE Song
A comb-like copolymer based on N-propylvinylimidazolium iodide (VImI) and poly(ethylene glycol) methyl ether methacrylat...
2012, 28 (05): 1139-1145.
DOI: 10.3866/PKU.WHXB201202233
3972
Abstract/Metrics
1527
PDF(927KB)
Electrochemical Impedance Spectroscopy Study of Failure Process of an Epoxy/Fluorocarbon Coating System
PANG Ran, ZUO Yu, TANG Yu-Ming, XIONG Jin-Ping
The failure processes of a multi-layer coating system (zinc-rich epoxy primer, epoxy middle layer, and fluorocarbon topc...
2012, 28 (05): 1146-1152.
DOI: 10.3866/PKU.WHXB201202272
4328
Abstract/Metrics
1578
PDF(3449KB)
Effect of Rust Layer on the Corrosion Behavior of Carbon Steel in Reverse Osmosis Product Water
HU Jia-Yuan, CAO Shun-An, XIE Jian-Li
The morphologies and electrochemical characteristics of rust layers generated in seawater and reverse osmosis (RO) produ...
2012, 28 (05): 1153-1162.
DOI: 10.3866/PKU.WHXB201203022
4432
Abstract/Metrics
1603
PDF(1177KB)
Direct Electrochemistry of Cytochrome c Adlayer on the ITO Electrode
ZHANG Zhe, QI Zhi-Mei, ZHANG Rong-Jun
The electrochemical redox reaction of a cytochrome c (Cyt c) adlayer on an indium tin oxide (ITO) electrode was directly...
2012, 28 (05): 1163-1168.
DOI: 10.3866/PKU.WHXB201202241
4856
Abstract/Metrics
1755
PDF(619KB)
Preparation and Electrochemical Performance of LiTi
2
(PO
4
)
3
/C Composite Cathode for Lithium Ion Batteries
YUAN Zheng, CUI Yong-Li, SHEN Ming-Fang, QIANG Ying-Huai, ZHUANG Quan-Chao
LiTi2(PO4)3/C composite with a Na+ superionic conductor (NASICON)-type structure was prepared by a sol-gel method. The L...
2012, 28 (05): 1169-1176.
DOI: 10.3866/PKU.WHXB201203012
4986
Abstract/Metrics
1992
PDF(2792KB)
Doping-Coating Surface Modification of Spinel LiMn
2
O
4
Cathode Material with Al
3+
for Lithium-Ion Batteries
XIONG Li-Long, XU You-Long, ZHANG Cheng, TAO Tao
A doping-coating surface modification method was used to improve the cycle performance of the lithium-ion battery cathod...
2012, 28 (05): 1177-1182.
DOI: 10.3866/PKU.WHXB201203092
4291
Abstract/Metrics
1485
PDF(998KB)
Synthesis of LiFePO
4
Cathode Materials by Mechanical-Activation-Assisted Polyol Processing
CAO Yan-Bing, DUAN Jian-Guo, JIANG Feng, HU Guo-Rong, PENG Zhong-Dong, DU Ke
A low-temperature approach for efficient preparation of LiFePO4 was developed. The rod-shaped [Fe3(PO4)2·8H2O + L...
2012, 28 (05): 1183-1188.
DOI: 10.3866/PKU.WHXB201202221
3707
Abstract/Metrics
1499
PDF(816KB)
SOFT MATTER
Thermal and Mechanical Properties of Density-Gradient Aerogels for Outer-Space Hypervelocity Particle Capture
DU Ai, ZHOU Bin, GUI Jia-Yin, LIU Guang-Wu, LI Yu-Nong, WU Guang-Ming, SHEN Jun, ZHANG Zhi-Hua
Aerogels with densities in the range 40-175 mg·cm-3 were prepared using a tetraethyl orthosilicate (TEOS) ethanol...
2012, 28 (05): 1189-1196.
DOI: 10.3866/PKU.WHXB201202292
5671
Abstract/Metrics
1842
PDF(3277KB)
Comparision of Silica Anti-Reflective Films Obtained
via
a Sol-Gel Process in the Presence of PEG or PVP
TIAN Hong, ZHANG -Lei, XU Yao, WU Dong, WU Zhong-Hua, LÜ Hai-Bing, YUAN Xiao-Dong
The different effects of poly(ethylene glycol) (PEG) and poly(vinylpyrrolidone) (PVP) on the structure and laser-induced...
2012, 28 (05): 1197-1205.
DOI: 10.3866/PKU.WHXB201202231
4839
Abstract/Metrics
1864
PDF(1556KB)
Mechanism and Condition Analysis of Condensed Drop Jumping on Super-Hydrophobic Surfaces
LIU Tian-Qing, SUN Wei, SUN Xiang-Yu, AI Hong-Ru
The initial shape of a coalesced drop is determined by the conservation of drop volume and the surface free energy befor...
2012, 28 (05): 1206-1212.
DOI: 10.3866/PKU.WHXB201202293
8072
Abstract/Metrics
2486
PDF(829KB)
Highly Stable Foams Generated by the Gemini Surfactant Ethanediyl-
α
,
ω
-bis(tetradecyldimethylammonium bromide)
WU Xiao-Na, ZOU Wen-Sheng, ZHAO Jian-Xi
This paper reports a highly stable foam system generated by the gemini surfactant ethanediyl- α,ω-bis(tetrad...
2012, 28 (05): 1213-1217.
DOI: 10.3866/PKU.WHXB201203053
3778
Abstract/Metrics
1354
PDF(776KB)
Highly Viscoelastic Worm-Like Micelle Solution of Sodium Hexadecyl Sulfate Induced by Bolaform Counterions
ZHAO Jian-Xi, YANG Duo-Ping
The rheological behaviors of mixed aqueous solutions of sodium hexadecyl sulfate (SHS) and a bolaform salt, either N,N'-...
2012, 28 (05): 1218-1222.
DOI: 10.3866/PKU.WHXB201202211
3957
Abstract/Metrics
1336
PDF(544KB)
CATALYSIS AND SURFACE SCIENCE
Adsorption of Low Concentration CO
2
by Modified Carbon Nanotubes under Ambient Temperature
YE Qing, ZHANG Yu, LI Ming, SHI Yao
Solid amine adsorbents for low concentration CO2 removal were developed using carbon nanotubes (CNTs) impregnated with t...
2012, 28 (05): 1223-1229.
DOI: 10.3866/PKU.WHXB201202234
4568
Abstract/Metrics
1930
PDF(1379KB)
Catalytic Performance and Steady-State Kinetics of Cu-ZSM-5 for Selective Catalytic Reduction of NO with NH
3
ZHANG Qiu-Lin, XU Hai-Di, QIU Chun-Tian, LIN Tao, GONG Mao-Chu, CHEN Yao-Qiang
A series of Cu-ZSM-5 catalysts with different Cu loadings were prepared by an incipient wetness impregnation method. The...
2012, 28 (05): 1230-1236.
DOI: 10.3866/PKU.WHXB201202232
4149
Abstract/Metrics
1927
PDF(674KB)
Effect of Ce
0.45
Zr
0.45
Y
0.07
La
0.03
O
1.95
/La-Ba-Al
2
O
3
Mass Ratio on the Activity of Fe-Based Monolithic Catalysts for the Combustion of Thin Methane
CHEN Yong-Dong, WANG Lei, TANG Shui-Hua, CAO Hong-Yan, GONG Mao-Chu, CHEN Yao-Qiang
Ce0.45Zr0.45Y0.07La0.03O1.95, an oxygen storage material (OSM), and La-Ba-Al2O3 have been prepared by co-precipitation a...
2012, 28 (05): 1237-1242.
DOI: 10.3866/PKU.WHXB201203141
3916
Abstract/Metrics
1084
PDF(472KB)
Preparation of La-Ni-Mo-B Amorphous Catalyst and Its Catalytic Properties for Hydrodeoxygenation of Phenol
WANG Wei-Yan, ZHANG Xiao-Zhe, YANG Yun-Quan, YANG Yan-Song, PENG Hui-Zuo, LUO He-An
Lanthanum-promoted Ni-Mo-B amorphous catalysts were prepared by chemical reduction of the corresponding metal salts with...
2012, 28 (05): 1243-1251.
DOI: 10.3866/PKU.WHXB201203081
4821
Abstract/Metrics
1750
PDF(1001KB)
Oxidation and Oxygen Thermal Desorption Mechanism on Narrow-Gap IV-VI Semiconductor PbTe(111) Surface
WU Hai-Fei, WU Ke, ZHANG Han-Jie, LIAO Qing, HE Pi-Mo
Oxidation and thermal desorption mechanism on the PbTe(111) surface were investigated using X-ray photoemission spectros...
2012, 28 (05): 1252-1256.
DOI: 10.3866/PKU.WHXB201202131
3761
Abstract/Metrics
2040
PDF(755KB)
BIOPHYSICAL CHEMISTRY
Molecular Docking in Xin-Ke-Shu Preparation's Multi-Target Effect on Coronary Heart Disease
HU Yan-Bao, PENG Jing-Bo, GU Shuo, PEI Jian-Feng, ZOU Zhong-Mei
Xin-Ke-Shu (XKS), a traditional Chinese medicine (TCM) preparation, has been widely used for treatment of coronary heart...
2012, 28 (05): 1257-1264.
DOI: 10.3866/PKU.WHXB201202212
4631
Abstract/Metrics
1788
PDF(779KB)
PHYSICAL CHEMISTRY OF MATERIALS
Fabrication and Magnetic Properties of Electrospun Zinc Ferrite Hollow Fibers
ZHU Fu-Liang, CHEN Yuan-Feng, CHENG Yong-Liang, ZHU Yu-Qing, YAN Xing-Bin
Zinc ferrite (ZnFe2O4) hollow fibers have been fabricated by annealing electrospun polyvinylpyrrolidone (PVP)/nitrate sa...
2012, 28 (05): 1265-1268.
DOI: 10.3866/PKU.WHXB201202291
4101
Abstract/Metrics
1484
PDF(796KB)
Electrochemical Indirect Measurement for the Study of Glutathione Adsorption on Multiwalled Carbon Nanotubes and Activated Carbon
TANG Jing, ZENG Qiao, CHEN Zhen-Dong, HUANG Xiang-Qian
Because of the chemical reaction between Cr(VI) ions and glutathione, the peak reduction current of Cr(VI) ions decrease...
2012, 28 (05): 1269-1274.
DOI: 10.3866/PKU.WHXB201202242
4291
Abstract/Metrics
1400
PDF(1488KB)