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Acta Phys. -Chim. Sin.
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中文
Current Issue
2012 Vol. 28,No. 04
Published: 21 March 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. 4
2012, 28 (04): 0.
1618
Abstract/Metrics
1579
PDF(8619KB)
REVIEW
Application of Iridium(III) Complexes in Phosphorescent Chemosensors
GUO Yuan-Hui, MEI Qun-Bo, YAN Fang, WANG Ling-Xia, WENG Jie-Na, ZHANG Bin, HUANG Wei
Chemosensors have developed quickly because they are widely used in biology. Compared to organic fluorescent chemosensor...
2012, 28 (04): 739-750.
DOI: 10.3866/PKU.WHXB201112222
5846
Abstract/Metrics
2580
PDF(738KB)
Progress in the Scoring Functions of Protein-Protein Docking
WANG Cun-Xin, CHANG Shan, GONG Xin-Qi, YANG Feng, LI Chun-Hua, CHEN Wei-Zu
Molecular docking technology is an effective approach for prediction of intermolecular interactions and recognition. The...
2012, 28 (04): 751-758.
DOI: 10.3866/PKU.WHXB201202022
5336
Abstract/Metrics
3580
PDF(563KB)
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
Mid-Infrared Pump-Probe Spectroscopy of Dimeric
π
-Cyclopentadienyl-dicarbonyliron [CpFe(CO)
2
]
2
YANG Fan, LIU Ying-Liang, WANG Jian-Ping
The structural and vibrational dynamics of the non-bridged C≡O stretching vibrations of two different tautomers of...
2012, 28 (04): 759-765.
DOI: 10.3866/PKU.WHXB201202023
4319
Abstract/Metrics
1614
PDF(1663KB)
Confocal Raman Spectroscopy Studies on the Interactions between NH
4
+
, NO
3
-
and H
2
O in Supersaturated NH4NO3 Droplets
GUO Xin, TAN See-Hua, SHANG Zhi-Jun, GUO Yu-Cong, ZHANG Yun-Hong
High signal to noise (S/N) ratio Raman spectra of NH4NO3 droplets deposited on a quartz substrate were obtained from dil...
2012, 28 (04): 766-772.
DOI: 10.3866/PKU.WHXB201202021
4153
Abstract/Metrics
1581
PDF(518KB)
Heat Capacity and DC-Magnetic Susceptibility Evidence for the Asymmetry of Electron Spin-Flip Phase Transition of N
+
H…O
-
Bond in Chiral Alanine Crystal
WANG Wen-Qing, SHEN Xin-Chun, WU Ji-Lan, GONG Yan, SHEN Guo-Hua, ZHAO Hong-Kai
With a view to understanding the argument of phase-transition mechanisms of D- and L-alanine at around 270 K, the temper...
2012, 28 (04): 773-780.
DOI: 10.3866/PKU.WHXB201202132
4049
Abstract/Metrics
1462
PDF(3331KB)
Thermal Behavior and Non-Isothermal Decomposition Reaction Kinetics of Aluminum Nanopowders Coated with an Oleic Acid/Hexogen Composite System
YAO Er-Gang, ZHAO Feng-Qi, GAO Hong-Xu, XU Si-Yu, HU Rong-Zu, HAO Hai-Xia, AN Ting, PEI Qing, XIAO Li-Bai
Aluminum nanopowders (nmAl) coated with oleic acid (OA) were obtained under nitrogen atmosphere, and their surface morph...
2012, 28 (04): 781-786.
DOI: 10.3866/PKU.WHXB201202151
4969
Abstract/Metrics
1657
PDF(1867KB)
Experimental Study of Autoignition Characteristics of Kerosene
TANG Hong-Chang, ZHANG Chang-Hua, LI Ping, WANG Li-Dong, YE Bin, LI Xiang-Yuan
The ignition delay times of gas-phase kerosene/air mixtures were measured behind reflected shock waves, using side-wall ...
2012, 28 (04): 787-791.
DOI: 10.3866/PKU.WHXB201202161
4763
Abstract/Metrics
1373
PDF(640KB)
THEORETICAL AND COMPUTATIONAL CHEMISTRY
Electronic Structures of Uranyl(VI) Carbonate Complexes in the Aqueous Phase
GU Jia-Fang, LU Chun-Hai, CHEN Wen-Kai, CHEN Yong, XU Ke, HUANG Xin, ZHANG Yong-Fan
A systematic study of series of non-hydrated and hydrated Cn/m uranyl carbonate complexes (n is number of carbonate liga...
2012, 28 (04): 792-798.
DOI: 10.3866/PKU.WHXB201201171
4608
Abstract/Metrics
2093
PDF(1936KB)
Factor Group Analysis of Molecular Vibrational Modes of Graphene and Density Functional Calculations
LIU Bo, SUN Hong-Juan, PENG Tong-Jiang
The molecular vibrational modes of graphene were analyzed theoretically by factor group analysis. The molecular vibratio...
2012, 28 (04): 799-804.
DOI: 10.3866/PKU.WHXB201202012
6321
Abstract/Metrics
2572
PDF(555KB)
Structure Characteristics and Stability of Al
n
O
2
±
Clusters
MAWen-Jin, LIU Jiang, SONG Xiang, ZHANG Xian-Ming, WU Hai-Shun
The geometric configurations and electronic structures of AlnO2± (n=1-10) clusters were studied using the B3LYP d...
2012, 28 (04): 805-810.
DOI: 10.3866/PKU.WHXB201202072
4897
Abstract/Metrics
1452
PDF(1061KB)
Electronic Structures of Group IB Metal-Ethylene Complexes [N{(Me)C(Ph)N}
2
]M-C
2
H
4
(M=Cu, Ag, Au)
QIU Yi-Xiang, WANG Shu-Guang
The geometries, electronic structures, and bonding energies of coinage metal-ethylene complexes LM-C2H4 (L=[N{(Me)C(Ph)N...
2012, 28 (04): 811-817.
DOI: 10.3866/PKU.WHXB201202082
4812
Abstract/Metrics
1245
PDF(749KB)
ELECTROCHEMISTRY AND NEW ENERGY
Reaction Mechanism of 1,4-Dimethoxy Benzene as an Overcharge Protection Additive
LI Tian-Tian, WANG Chao-Yang, XING Li-Dan, LI Wei-Shan, PENG Bin, XU Meng-Qing, GU Feng-Long, HU She-Jun
The reaction mechanism of 1,4-dimethoxybenzene (p-DMOB) as an overcharge protection additive for lithium ion batteries w...
2012, 28 (04): 818-822.
DOI: 10.3866/PKU.WHXB201201132
7096
Abstract/Metrics
2118
PDF(885KB)
Preparation and Characterization of
x
Li
2
MnO
3
·(1-
x
)Li[Ni
1/3
Mn
1/3
Co
1/3
]O
2
Cathode Materials for Lithium-Ion Batteries
WANG Zhao, WU Feng, SU Yue-Feng, BAO Li-Ying, CHEN Lai, LI Ning, CHEN Shi
The lithium rich cathode materials xLi2MnO3·(1-x)Li[Ni1/3Mn1/3Co1/3]O2 (x=0.4, 0.5, 0.6) were successfully synthe...
2012, 28 (04): 823-830.
DOI: 10.3866/PKU.WHXB201202102
5821
Abstract/Metrics
2442
PDF(1123KB)
Preparation and Characterization of a Novel Bi-Doped PbO
2
Electrode
YANG Wei-Hua, YANG Wu-Tao, LIN Xiao-Yan
A novel high-performance PbO2 electrode modified with Bi3+ (Bi-PbO2) was prepared by electrodeposition. The microstructu...
2012, 28 (04): 831-836.
DOI: 10.3866/PKU.WHXB201202101
4225
Abstract/Metrics
1559
PDF(812KB)
Preparation of Ordered Mesoporous Carbon/NiCo
2
O
4
Electrode and Its Electrochemical Capacitive Behavior
CHE Qian, ZHANG Fang, ZHANG Xiao-Gang, LU Xiang-Jun, DING Bing, ZHU Jia-Jia
OMC/NiCo2O4 composite was prepared by co-precipitation with ordered mesoporous carbon (OMC) as a support. The crystallin...
2012, 28 (04): 837-842.
DOI: 10.3866/PKU.WHXB201202074
4277
Abstract/Metrics
3436
PDF(788KB)
Pore Structures of Carbon Aerogels and Their Effects on Electrochemical Supercapacitor Performance
LIU Dong, SHEN Jun, LI Ya-Jie, LIU Nian-Ping, LIU Bin
Control of the pore structures of carbon aerogels (CAs) was investigated by changing the sol-gel polymerization and acti...
2012, 28 (04): 843-849.
DOI: 10.3866/PKU.WHXB201202172
5919
Abstract/Metrics
2454
PDF(1393KB)
Infection of Oxygen Vacancy at the TiO
2
Surface for Film Electrode Rup
2
P/TiO
2
/ITO Photo-Induced Charge Transfer
CHENG Hui, DONG Jiang-Zhou, CHAO Hui, YAO Jiang-Hong, CAO Ya-An
The surface properties of TiO2-X (X=5, 10, 20, X=[NaOH] (in mol·L-1)) samples prepared by modification of hydroly...
2012, 28 (04): 850-856.
DOI: 10.3866/PKU.WHXB2012020111
4445
Abstract/Metrics
1742
PDF(759KB)
Influence of Preparation Conditions on the Properties of Cu
2
S Photocathodes
SHI Ji-Fu, FAN Ye, XU Xue-Qing, XU Gang, CHEN Li-Hua
Cu2S nanomaterials were prepared, and the influence of preparation conditions on the morphology and catalytic reduction ...
2012, 28 (04): 857-864.
DOI: 10.3866/PKU.WHXB201202204
4760
Abstract/Metrics
2653
PDF(5959KB)
Effects of Calcination Temperature on Morphologies and Photoelectrochemical Properties of Anodized WO
3
Nanoporous Films
HUANG Ye, LIU Yu-Yang, LI Wen-Zhang, CHEN Qi-Yuan
Visible-light-responsive WO3 porous films were synthesized via step-voltage anodization in NH4F/(NH4)2SO4 solution and c...
2012, 28 (04): 865-870.
DOI: 10.3866/PKU.WHXB201202152
4090
Abstract/Metrics
1471
PDF(1039KB)
Highly Active Pd-Co
3
O
4
/MWCNTs Catalysts for Methanol Electrocatalytic Oxidation
NIE Su-Lian, ZHAO Yan-Chun, FAN Jie-Wen, TIAN Jian-Niao, NING Zhen, LI Xiao-Xiao
Nano-flocculent-Co3O4 modified multi-walled carbon nanotubes supported Pd nanoparticles (Pd-Co3O4/MWCNTs) with uniform d...
2012, 28 (04): 871-876.
DOI: 10.3866/PKU.WHXB201202013
4912
Abstract/Metrics
1982
PDF(2137KB)
Numerical Simulation Based Accurate Models of Improved Chronoamperometry and Its Experimental Validation
CHEN Xu-Hai, LIU Shao-Li, CHEN Jing-Hua, DU Min, LIN Xin-Hua
Based on the empirical formula for concentration change of a detected molecule on the surface of a electrode, an approxi...
2012, 28 (04): 877-884.
DOI: 10.3866/PKU.WHXB201202141
3607
Abstract/Metrics
1758
PDF(883KB)
SOFT MATTER
Effect of Inorganic Salts and Ureas on the Micellization Behavior of Antidepressant Drug Imipramine Hydrochloride at Various Concentrations and Temperatures
KABIR-UD-DIN, RUB Malik Abdul, NAQVI Andleeb Z.
In the present study we report the micellization behavior of imipramine hydrochloride (IMP) in absence and presence of d...
2012, 28 (04): 885-891.
DOI: 10.3866/PKU.WHXB201202202
3272
Abstract/Metrics
1230
PDF(429KB)
Preparation and Formation Mechanism of Uniform Polymer Microspheres in Precipitation Polymerization of Pentaerythritol Triacrylate and Styrene
ZHANG Zhao, GU Xiang-Ling, ZHU Xiao-Li, KONG Xiang-Zheng
Uniform polymer microspheres were prepared through precipitation polymerization of pentaerythritol triacrylate (PETA) an...
2012, 28 (04): 892-896.
DOI: 10.3866/PKU.WHXB201202031
4935
Abstract/Metrics
2026
PDF(853KB)
Characterization of Chitosan Polymeric Ethosomes Capable of Encapsulating Hydrophobic and Hydrophilic Drugs Prepared by a Microemulsion Method
LIANG Xiao-Fei, HU Jing-Ying, CHEN Fu-Hua, LI Zong-Hai, CHANG Jin
Polymeric ethosomes, formed from amphiphilic octadecyl quaternized carboxymethyl chitosan (OQCMC) with different degrees...
2012, 28 (04): 897-902.
DOI: 10.3866/PKU.WHXB201202091
5443
Abstract/Metrics
1887
PDF(2046KB)
Self-Assembly Behavior of Hydrophobically Associating Polyacrylamide in Salt Solution
CHEN Hong, WU Xiao-Yan, YE Zhong-Bin, HAN Li-Juan, LUO Ping-Ya
The self-assembly behavior of hydrophobically associating polyacrylamide (HAPAM) in salt solution was studied by static ...
2012, 28 (04): 903-908.
DOI: 10.3866/PKU.WHXB201202171
4466
Abstract/Metrics
1559
PDF(903KB)
Dissipative Particle Dynamics Simulations on Mesoscopic Structures of Nafion and PVA/Nafion Blend Membranes
SUN De-Lin, ZHOU Jian
Dissipative particle dynamics simulations were performed to study the mesoscopic structures of both humidified Nafion an...
2012, 28 (04): 909-916.
DOI: 10.3866/PKU.WHXB201201164
5388
Abstract/Metrics
2308
PDF(8288KB)
Preparation and Tribological Properties of Self-Assembled Composite Films on Silicon Surface
PAN He, TENG Shu-Hua, DING Cui-Cui
Composite films of 3-aminopropyltriethoxysilane (APTES)-SiO2-APTES were prepared on single-crystal silicon substrates us...
2012, 28 (04): 917-922.
DOI: 10.3866/PKU.WHXB201201172
4159
Abstract/Metrics
1738
PDF(1041KB)
CATALYSIS AND SURFACE SCIENCE
Selective Hydrogenation of Cinnamaldehyde with Efficient Assembled Pt-Fe/C Catalysts
ZHAO Lei, XU Xiang-Sheng, ZHANG Kai-Chao, YAN Xin-Huan
Platinum nanoparticles (d=2.0 nm) were obtained by decomposition of Pt2(dba)3 (dba: dibenzalacetone) and captured by act...
2012, 28 (04): 923-927.
DOI: 10.3866/PKU.WHXB201202081
5175
Abstract/Metrics
1515
PDF(1101KB)
Effects of Mg Addition on Catalytic Performance of PtNa/Sn-ZSM-5 in Propane Dehydrogenation
XUE Meng-Wei, ZHOU Yu-Ming, ZHANG Yi-Wei, HUANG Li, LIU Xuan, DUAN Yong-Zheng
The effects of Mg addition on the catalytic performance of PtNa/Sn-ZSM-5 in propane dehydrogenation was investigated usi...
2012, 28 (04): 928-934.
DOI: 10.3866/PKU.WHXB201202073
5531
Abstract/Metrics
1768
PDF(680KB)
Reaction Pathway for Reforming Coke Oven Gas over NiO/MgO Catalyst in an Oxygen Permeation Membrane Reactor
YANG Zhi-Bin, DING Wei-Zhong
The reaction pathway for reforming coke oven gas (COG) in an oxygen permeation membrane was analyzed. Through the reform...
2012, 28 (04): 935-941.
DOI: 10.3866/PKU.WHXB201202133
3235
Abstract/Metrics
1356
PDF(1457KB)
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
Third-Order Nonlinear Optical Properties of 1,3-Dithiole-2-thione- 4,5-dithiolate Compounds at Different Wavelengths
CHEN Jing-Wei, REN Quan, WANG Xin-Qiang, YANG Xu-Dong, LI Ting-Bin, YANG Hong-Liang, ZHU Lu-Yi, ZHANG Jing-Nan, LI Guo-Chao
Two novel 1,3-dithiole-2-thione-4,5-dithiolate compounds, benzyltriethylamine bis(2-thioxo-1,3- dithiole-4,5-dithiolato)...
2012, 28 (04): 942-948.
DOI: 10.3866/PKU.WHXB201202201
4264
Abstract/Metrics
1575
PDF(1304KB)
Luminescence Characteristics of Blue Emission Phosphorescent Material Firpic
WANG Jian, ZHANG Fu-Jun, XU Zheng, WANG Yong-Sheng
The luminescent properties of bis[(4,6-difluorophenyl)-pyridinato-N,C2']c(picolinate)iridium(III) (FIrpic) dependence on...
2012, 28 (04): 949-956.
DOI: 10.3866/PKU.WHXB201201163
7702
Abstract/Metrics
2920
PDF(1776KB)
Laser Flash Photolysis Mechanism of Pyrenetetrasulfonate in Aqueous Solution
YUAN Hai-Xia, PAN Hu-Xiang, WU Yan-Lin, ZHAO Jian-Feng, DONG Wen-Bo
The mechanism of photochemical reactions of pyrenetetrasulfonate (PyTS) in aqueous solution was studied using laser flas...
2012, 28 (04): 957-962.
DOI: 10.3866/PKU.WHXB201202203
4907
Abstract/Metrics
1425
PDF(728KB)
Photodissociation Spectra of OCS
+
via
A
2
П
←
X
2
П
Transitions
ZHOU Dan-Na, CHEN Lin, WU Dan, ZHANG Li-Min
In the wavelength range 260-325 nm, we obtained mass-resolved dissociation spectra of OCS+ via A2П3/2←X2П3/2 (000) ...
2012, 28 (04): 963-970.
DOI: 10.3866/PKU.WHXB201202162
3811
Abstract/Metrics
1182
PDF(1005KB)
BIOPHYSICAL CHEMISTRY
Effect of Alkali Metal Ions on the Dissociation of Glycine Pentapeptide in the Gas Phase
WANG Qing, CHU Yan-Qiu, ZHANG Kai, DAI Xin-Hua, FANG Xiang, DING Chuan-Fan
To obtain more structural information of polypeptides, glycine pentapeptide (simplified as GGGGG or G5) was chosen as a ...
2012, 28 (04): 971-977.
DOI: 10.3866/PKU.WHXB201112201
4286
Abstract/Metrics
1455
PDF(520KB)
PHYSICAL CHEMISTRY OF MATERIALS
Simulating Patterned Structures in Block Copolymer Nanodroplets Using Explicit Solvent Model
WU Shao-Gui, SUN Ting, ZHOU Ping, ZHOU Jun
Dissipative particle dynamics (DPD) simulation technique is used to elucidate the microphase separation behavior of bloc...
2012, 28 (04): 978-984.
DOI: 10.3866/PKU.WHXB201202142
3915
Abstract/Metrics
1538
PDF(2027KB)
Adsorption Capacity of Carbon Dioxide on Amine Modified Mesoporous Materials with Larger Pore Sizes
ZHAO Hui-Min, LIN Dan, YANG Gang, CHUN Yuan, XU Qin-Hua
Mesoporous silica SBA-15-like materials with large pores were synthesized using tri-block copolymer P123 as a structure-...
2012, 28 (04): 985-992.
DOI: 10.3866/PKU.WHXB201202071
4937
Abstract/Metrics
2110
PDF(1006KB)