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Acta Phys. -Chim. Sin.
Acta Phys. -Chim. Sin.
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中文
Current Issue
2011 Vol. 27,No. 12
Published: 25 November 2011
Current column
Table of Contents
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
THEORETICAL AND COMPUTATIONAL CHEMISTRY
ELECTROCHEMISTRY AND NEW ENERGY
CATALYSIS AND SURFACE SCIENCE
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
BIOPHYSICAL CHEMISTRY
PHYSICAL CHEMISTRY OF MATERIALS
NEWS AND COMMENTS
ACKNOWLEDGMENTS
Index
Table of Contents
Cover and Table of Contents for Vol.27 No. 12
2011, 27 (12): 0.
1833
Abstract/Metrics
2134
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THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
Analysis and Simulation of Experimental Configurations for Sum Frequency Generation and Difference Frequency Generation Vibrational Spectroscopy
WANG Yuan, DENG Gang-Hua, GUO Yuan
The analysis of experimental configurations is the foundation for quantitative analysis in sum frequency generation vibr...
2011, 27 (12): 2733-2742.
DOI: 10.3866/PKU.WHXB20112733
5460
Abstract/Metrics
1872
PDF(670KB)
Terahertz Time-Domain Spectroscopy of L- and DL-Fudosteine
ZHAO Rong-Jiao, HE Jin-Long, LI Jing, GUO Chang-Sheng, DU Yong, HONG Zhi
The absorption spectra of L- and DL-Fudosteine were measured using terahertz time-domain (THz-TDS) system at room temper...
2011, 27 (12): 2743-2748.
DOI: 10.3866/PKU.WHXB20112743
5568
Abstract/Metrics
1833
PDF(1615KB)
Ionization and Dissociation of Methyl Chloride in an Excitation Energy Range of 13-17 eV
WU Man-Man, TANG Xiao-Feng, NIU Ming-Li, ZHOU Xiao-Guo, DAI Jing-Hua, LIU Shi-Lin
Using threshold photoelectron-photoion coincidence time-of-flight mass spectrometry, the photoionization and photodissoc...
2011, 27 (12): 2749-2754.
DOI: 10.3866/PKU.WHXB20112749
4607
Abstract/Metrics
1361
PDF(523KB)
Mechanism Construction and Simulation for the High-Temperature Combustion of
n
-Dodecane
HUA Xiao-Xiao, WANG Jing-Bo, WANG Quan-De, TAN Ning-Xin, LI Xiang-Yuan
Using automatic generation software for hydrocarbon oxidation mechanisms, a detailed mechanism for the high-temperature ...
2011, 27 (12): 2755-2761.
DOI: 10.3866/PKU.WHXB20112755
6214
Abstract/Metrics
2317
PDF(797KB)
Dynamic Viscosity and Conductivity of Ionic Liquids [C
n
py][NTf
2
] (
n
=2, 4, 5)
LIU Qing-Shan, YAN Pei-Fang, YANG Miao, TAN Zhi-Cheng, LI Chang-Ping, WELZ-BIERMANN Urs
Experimental dynamic viscosity and conductivity data of the air- and water-stable hydrophobic ionic liquids (ILs) N-alky...
2011, 27 (12): 2762-2766.
DOI: 10.3866/PKU.WHXB20112762
6754
Abstract/Metrics
2707
PDF(731KB)
Adsorption Performance of Tetradecyl Aryl Sulfonates on Oil Sand from the Daqing Oilfield
DONG Zhi-Long, DING Wei, LIU Kun, ZHANG Zhi-Wei, QU Guang-Miao, YU Tao
Three tetradecyl aryl sulfonates of high purity were synthesized. Their static adsorption performance on oil sand from t...
2011, 27 (12): 2767-2772.
DOI: 10.3866/PKU.WHXB20112767
4933
Abstract/Metrics
1410
PDF(1674KB)
Dissociation Conditions and Influencing Factors of Methane Hydrate in Chloride Salt Solution under High Pressure
SUN Shi-Cai, LIU Chang-Ling, YE Yu-Guang, JIANG Qian
A method that can be used for gas hydrate exploitation is the injection of a brine solution into hydrate reservoir, ther...
2011, 27 (12): 2773-2778.
DOI: 10.3866/PKU.WHXB20112773
5686
Abstract/Metrics
1530
PDF(757KB)
THEORETICAL AND COMPUTATIONAL CHEMISTRY
Car-Parrinello Molecular Dynamics Simulations of Microstructure Properties of Liquid Water, Methanol and Ethanol
ZENG Yong-Ping, ZHU Xiao-Min, YANG Zheng-Hua
Car-Parrinello molecular dynamics (CPMD) calculations were performed on the solvent structure properties of water, metha...
2011, 27 (12): 2779-2785.
DOI: 10.3866/PKU.WHXB20112779
8064
Abstract/Metrics
2622
PDF(2334KB)
Meaning and Functional Form of the Electron Localization Function
LU Tian, CHEN Fei-Wu
The electron localization function (ELF) is an important tool to study electronic structure. In this article, the concep...
2011, 27 (12): 2786-2792.
DOI: 10.3866/PKU.WHXB20112786
11669
Abstract/Metrics
6543
PDF(2525KB)
First-Principles Calculation of the Crystal Structure and Stabilization of Mg-Ti-H System
DU Xiao-Ming, LI Wu-Hui, HUANG Yong, WU Er-Dong
First-principles calculations were performed to determine the equilibrium crystal structures, energetic properties, and ...
2011, 27 (12): 2793-2798.
DOI: 10.3866/PKU.WHXB20112793
5675
Abstract/Metrics
2303
PDF(879KB)
Effects of Cu
2+
on Proton Transfer Processes in an Adenine-Thymine Anion Base Pair
ZHANG Feng, WANG Hong-Yan, LIN Yue-Xia
The proton-transfer processes of the adenine-thymine (A-T) base pair anion (AT)- and the Cu2+ cationized (A-T) base pair...
2011, 27 (12): 2799-2804.
DOI: 10.3866/PKU.WHXB20112799
5222
Abstract/Metrics
1418
PDF(1249KB)
Electronic Structures and Optical Properties of CuAlX
2
(X=S, Se, Te) Semiconductors with a Chalcopyrite Structure
ZHOU He-Gen, CHEN Hong, CHEN Dong, LI Yi, DING Kai-Ning, HUANG Xin, ZHANG Yong-Fan
Density functional theory (DFT) based on the pseudo-potential plane wave basis set was used to investigate the electroni...
2011, 27 (12): 2805-2813.
DOI: 10.3866/PKU.WHXB20112805
5982
Abstract/Metrics
2490
PDF(4282KB)
ELECTROCHEMISTRY AND NEW ENERGY
Photoinduced Electron Transfer between CdS Quantum Dots and Gold Electrodes
YUE Zhao, ZHANG Wei, WANG Cheng, LIU Guo-Hua, NIU Wen-Cheng
For a better design of quantum dots (QDs) based photoelectrochemical sensors, photoinduced electron transfer between CdS...
2011, 27 (12): 2814-2820.
DOI: 10.3866/PKU.WHXB20112814
5202
Abstract/Metrics
2074
PDF(1394KB)
Preparation of Large Grain and Dense CdS Thin Films Using Ultrasonic Agitation Chemical Bath Deposition
SHI Cheng-Wu, CHEN Zhu, SHI Gao-Yang, SUN Ren-Jie
We deposited CdS thin films onto F-doped SnO2 transparent conductive glass by ultrasonic agitation chemical bath deposit...
2011, 27 (12): 2821-2825.
DOI: 10.3866/PKU.WHXB20112821
5519
Abstract/Metrics
1924
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Preparation of CIGS Thin Films by Electrodeposition Method Using Ethanol as a Solvent
WANG Xin-Chun, HU Bin-Bin, WANG Guang-Jun, YANG Guang-Hong, WAN Shao-Ming, DU Zu-Liang
We prepared copper indium gallium diselenide (CIGS) thin films by potentiostatic electrodeposition in an ethanol solutio...
2011, 27 (12): 2826-2830.
DOI: 10.3866/PKU.WHXB20112826
5564
Abstract/Metrics
2209
PDF(735KB)
Photoelectrochemical Properties of Graphene Oxide Thin Film Electrodes
ZHANG Xiao-Yan, SUN Ming-Xuan, SUN Yu-Jun, LI Jing, SONG Peng, SUN Tong, CUI Xiao-Li
A series of graphene oxide (GO) thin films were prepared by a dip-coating method and characterized by X-ray diffraction ...
2011, 27 (12): 2831-2835.
DOI: 10.3866/PKU.WHXB20112831
6279
Abstract/Metrics
2208
PDF(766KB)
Preparation and Characterization of Peanut Shell-Based Microporous Carbons as Electrode Materials for Supercapacitors
GUO Pei-Zhi, JI Qian-Qian, ZHANG Li-Li, ZHAO Shan-Yu, ZHAO Xiu-Song
Microporous carbons (PSC-1 and PSC-2) were obtained directly by the carbonization of peanut shells without and with NaOH...
2011, 27 (12): 2836-2840.
DOI: 10.3866/PKU.WHXB20112836
6292
Abstract/Metrics
2281
PDF(480KB)
Inhibition Effect of Nitrotetrazolium Blue Chloride on the Corrosion of Steel in Hydrochloric Acid Solution
LI Xiang-Hong, DENG Shu-Duan, FU Hui
The inhibition effect of nitrotetrazolium blue chloride (NTBC) on the corrosion of cold rolled steel (CRS) in 1.0-5.0 mo...
2011, 27 (12): 2841-2848.
DOI: 10.3866/PKU.WHXB20112841
5554
Abstract/Metrics
1862
PDF(760KB)
Preparation of the Ni/NiCo
2
O
4
Composite Electrode and Its Properties toward the Oxygen Evolution Reaction in Alkaline Media
BAO Jin-Zhen, WANG Sen-Lin
A NiCo2O4 spinel composite oxide was obtained by co-precipitation. A Ni/NiCo2O4 composite coating was prepared by compos...
2011, 27 (12): 2849-2856.
DOI: 10.3866/PKU.WHXB20112849
5194
Abstract/Metrics
2400
PDF(1537KB)
PtSnCo/C Anode Catalyst for Methanol Oxidation
LI Qing-Wu, WEI Zi-Dong, CHEN Si-Guo, QI Xue-Qiang, LIU Xiao, DING Wei, MAYu
A binary metallic catalyst (PtSn/C) and a ternary metallic catalyst (PtSnCo/C) with a metal mass fraction of 20% were pr...
2011, 27 (12): 2857-2862.
DOI: 10.3866/PKU.WHXB20112857
5942
Abstract/Metrics
2016
PDF(1863KB)
Preparation of Tungsten Carbide and Titania Nanocomposite and Its Electrocatalytic Activity for Methanol
HU Xian-Chao, CHEN Dan, SHI Bin-Bin, LI Guo-Hua
Tungsten carbide and titania nanocomposite with a core-shell structure was fabricated by combing chemical immersion with...
2011, 27 (12): 2863-2871.
DOI: 10.3866/PKU.WHXB20112863
5268
Abstract/Metrics
2069
PDF(1417KB)
CATALYSIS AND SURFACE SCIENCE
Highly Active Au/
α
-MnO
2
Catalysts for the Low-Temperature Oxidation of Carbon Monoxide and Benzene
YE Qing, HUO Fei-Fei, YAN Li-Na, WANG Juan, CHENG Shui-Yuan, KANG Tian-Fang
α-MnO2-supported gold catalysts (xAu/α-MnO2, x=0-7 (corresponding to the Au loading (mass fraction) of 0-7%)...
2011, 27 (12): 2872-2880.
DOI: 10.3866/PKU.WHXB20112872
5618
Abstract/Metrics
2423
PDF(2664KB)
Hydroxylation of Benzene over V-HMS Catalysts with the Addition of Fe as the Second Metal Component
FENG Su-Jiao, YUE Bin, WANG Yu, YE Lin, HE He-Yong
Second metals (Fe, Al, Cu, Ni, Co, Mo, Cr) were incorporated into V-HMS catalyst by impregnation to enhance the catalyti...
2011, 27 (12): 2881-2886.
DOI: 10.3866/PKU.WHXB20112881
5947
Abstract/Metrics
1611
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Asymmetric Hydrogenation of Acetophenone and Its Derivatives Catalyzed by L-Proline Stabilized Iridium
YANG Chao-Fen, YANG Jun, ZHU Yan-Qin, SUN Xiao-Dong, LI Xian-Jun, CHEN Hua
A supported iridium catalyst stabilized by L-proline was prepared under mild conditions and was applied to the heterogen...
2011, 27 (12): 2887-2892.
DOI: 10.3866/PKU.WHXB20112887
5312
Abstract/Metrics
1502
PDF(770KB)
Synthesis, Characterization of SSZ-33 Molecular Sieves and Their Performance for the Automobile Tailpipe Hydrocarbon Trap
PAN Rui-Li, FAN Wei-Bin, LI Yu-Ping, LI Xiao-Feng, LI Sha, DOU Tao
Using N,N,N-trimethyl-8-ammonium tricyclo [5.2.1.02,6] decane iodide as a structure directing agent, B-SSZ-33 molecular ...
2011, 27 (12): 2893-2899.
DOI: 10.3866/PKU.WHXB20112893
5552
Abstract/Metrics
1942
PDF(877KB)
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
Effect of Oxygen Vacancy on the Optical Properties of Porous Zirconia
OUYANG Jing, SONG Xing-Lin, LIN Ming-Yue, ZOU Ju, LI Jing-Jing, ZHU Jiang-Ping, YANG Hua-Ming
The effect of oxygen vacancy on the optical properties of porous zirconia (ZrO2) was discussed based on the preparation ...
2011, 27 (12): 2900-2906.
DOI: 10.3866/PKU.WHXB20112900
5102
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2655
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BIOPHYSICAL CHEMISTRY
Interactions between Different Classes of Surfactants and Metmyoglobin
ZHANG Ying-Ying, CAO Hong-Yu, TANG Qian, ZHENG Xue-Fang
Complexes of horse metmyoglobin (metMb) with the anionic surfactants sodium bis(2- ethylhexyl) sulfosuccinate (AOT) and ...
2011, 27 (12): 2907-2914.
DOI: 10.3866/PKU.WHXB20112907
5234
Abstract/Metrics
2146
PDF(3693KB)
PHYSICAL CHEMISTRY OF MATERIALS
Structure and Morphology of Induction-Melted Higher Manganese Silicide
ZHOU Ai-Jun, CUI Heng-Guan, LI Jing-Ze, ZHAO Xin-Bing
Field emission scanning microscopy (FESEM) and energy-dispersive X-ray spectroscopy (EDXS) were used to study the morpho...
2011, 27 (12): 2915-2919.
DOI: 10.3866/PKU.WHXB20112915
5345
Abstract/Metrics
1480
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Synthesis and Characterization of Sphere-Like Cu
2
ZnSnS
4
Nanocrystals by Solvothermal Method
CAI Qian, LIANG Xiao-Juan, ZHONG Jia-Song, SHAO Ming-Guo, WANG Yun, ZHAO Xiao-Wei, XIANG Wei-Dong
A simple solvothermal route has been successfully used to prepare Cu2ZnSnS4 nanocrystals using metal chloride and L-cyst...
2011, 27 (12): 2920-2926.
DOI: 10.3866/PKU.WHXB20112920
5996
Abstract/Metrics
3312
PDF(1409KB)
Formation Mechanism of Barium Titanate Nanoparticle Aggregations
ZHAN Hong-Quan, JIANG Xiang-Ping, LI Xiao-Hong, LUO Zhi-Yun, CHEN Chao, LI Yue-Ming
A novel nanoparticle aggregation structure of barium titanate was obtained by the hydrothermal method. Powder X-ray diff...
2011, 27 (12): 2927-2932.
DOI: 10.3866/PKU.WHXB20112927
5480
Abstract/Metrics
2195
PDF(1181KB)
Microwave-Assisted Hydrothermal Synthesis of Ag-Loaded Titania Nanotubes and Their Photocatalytic Performance
CHEN Shu-Hai, XU Yao, LÜ Bao-Liang, WU Dong
Ag-loaded titania nanotubes were synthesized by a microwave-assisted hydrothermal method and were characterized by X-ray...
2011, 27 (12): 2933-2938.
DOI: 10.3866/PKU.WHXB20112933
6211
Abstract/Metrics
2566
PDF(924KB)
Facile Synthesis of Assembly HAP Nanoribbon Spheres and the Synergized Action of Its Photocatalytic Properties
YANG Xiao-Hong, LIU Chang, LIU Jin-Ku, ZHU Zi-Chun
Hydroxyapatite (HAP) nanoribbon spheres with well-defined nanoscale structures and regular morphology were successfully ...
2011, 27 (12): 2939-2945.
DOI: 10.3866/PKU.WHXB20112939
5949
Abstract/Metrics
1691
PDF(1049KB)
Adjustable Synthesis and Visible-Light Responsive Photocatalytic Performance of V
2
O
5
·
x
H
2
O-BiVO
4
Nanocomposites
LI Ben-Xia, WANG Yan-Fen, LIU Tong-Xuan
V2O5·xH2O-BiVO4 composite photocatalysts were synthesized using monoclinic V2O5·xH2O nanowires as a precur...
2011, 27 (12): 2946-2952.
DOI: 10.3866/PKU.WHXB20112946
5795
Abstract/Metrics
Supporting Info
2573
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Direct Graphene Growth by Depositing Carbon Atoms on Si Substrate Covered by SiC Buffer Layers
TANG Jun, KANG Chao-Yang, LI Li-Min, XU Peng-Shou
Graphene is a newly discovered material with many functions. The preparation of graphene on suitable substrates is a cha...
2011, 27 (12): 2953-2959.
DOI: 10.3866/PKU.WHXB20112953
5764
Abstract/Metrics
2361
PDF(987KB)
NEWS AND COMMENTS
Focus on the Morphology-Dependent Nanocatalysis Papers in
Chinese Journal of Catalysis
of the Year 2010
LI Yong
The size-dependent nanocatalysis has been well studied in the past three decades, while little concern is paid to the sh...
2011, 27 (12): 2960-2962.
DOI: 10.3866/PKU.WHXB20112960
3856
Abstract/Metrics
1600
PDF(316KB)
ACKNOWLEDGMENTS
ACKNOWLEDGMENTS
一年来(2010 年11 月-2011 年10 月), 有925 位老师(名单按姓名拼音字母排序)非常认真细致、无偿而且及时(初审平均20 天、复审平均10 天)地完成了审稿, 提出了很多客观、中肯的意见和建议. 他们的辛勤劳动和无私奉献使...
2011, 27 (12): 2963-2972.
2364
Abstract/Metrics
6120
PDF(247KB)
Index
ACTA PHYSICO-CHIMICA SINICA Vol. 27 No. 1-12 2011 INDEX
2011, 27 (12): 2973-2997.
1736
Abstract/Metrics
2580
PDF(1585KB)