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Acta Phys. -Chim. Sin.
Acta Phys. -Chim. Sin.
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中文
Current Issue
2011 Vol. 27,No. 03
Published: 03 March 2011
Current column
Table of Contents
Invited Aticle
REVIEW
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. 3
2011, 27 (03): 0.
1586
Abstract/Metrics
1699
PDF(25339KB)
Invited Aticle
Doping 25-Atom and 38-Atom Gold Nanoclusters with Palladium
QIAN Huifeng, BARRY Ellen, ZHU Yan, JIN Rongchao
In this work, we describe two synthetic procedures for preparing palladium doped 25-atom nanoclusters (referred to as Pd...
2011, 27 (03): 513-519.
DOI: 10.3866/PKU.WHXB20110304
6120
Abstract/Metrics
3850
PDF(672KB)
REVIEW
Mesoscopic Simulations on the Aggregation Behavior of Polymeric Surfactants in Aqueous Solutions
PANG Jin-Yu, Lü Xin, ZHANG Jian, YUAN Shi-Ling, XU Gui-Ying
Polymeric surfactants are widely used in many fields. Their aggregation behavior is different from that of small molecul...
2011, 27 (03): 520-529.
DOI: 10.3866/PKU.WHXB20110328
5850
Abstract/Metrics
3216
PDF(737KB)
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
Reduced Chemical Kinetic Model of Toluene Reference Fuels for HCCI Combustion
ZHANG Qing-Feng, ZHENG Zhao-Lei, HE Zu-Wei, WANG Ying
We developed a reduced kinetic model for toluene reference fuel (TRF) including 70 species and 196 reactions for homogen...
2011, 27 (03): 530-538.
DOI: 10.3866/PKU.WHXB20110334
5980
Abstract/Metrics
Supporting Info
2735
PDF(778KB)
Design, Synthesis and Mimic Catalytic Activity of a Vanadium Haloperoxidase Conformation Model Molecule
CAO Yun-Zhu, WEI Dong-Ming, REN Dong-Xue, CHEN Chen, XING Yong-Heng, SHI Zhan
Based on mimicing the N, O coordination environment of the active center of vanadium haloperoxidase (V-HPOs) and the hyd...
2011, 27 (03): 539-546.
DOI: 10.3866/PKU.WHXB20110326
4820
Abstract/Metrics
1902
PDF(837KB)
Formation Thermodynamics of Adefovir Dipivoxil-Saccharin Co-Crystals
ZHANG Jian-Jun, ZU Hui, GAO Yuan
The solubilities of adefovir dipivoxil (AD) in saccharin (SAC) ethanolic solutions at different temperatures and in SAC ...
2011, 27 (03): 547-552.
DOI: 10.3866/PKU.WHXB20110330
4725
Abstract/Metrics
2429
PDF(721KB)
THEORETICAL AND COMPUTATIONAL CHEMISTRY
Stepped Behavior of Carbon Dioxide Adsorption in Metal-Organic Frameworks
AN Xiao-Hui, LIU Da-Huan, ZHONG Chong-Li
Grand canonical Monte Carlo (GCMC) simulations were performed to study the stepped behaviors of carbon dioxide adsorptio...
2011, 27 (03): 553-558.
DOI: 10.3866/PKU.WHXB20110319
6296
Abstract/Metrics
Supporting Info
2312
PDF(935KB)
Electronic Transport in Z-Shaped Graphene-Nanoribbons: Shape and Size Effects
XU Ning, KONG Fan-Jie, WANG Yan-Zong
Based on the Green′s function method and the Landauer-Büttiker formula, we studied the electronic transport p...
2011, 27 (03): 559-563.
DOI: 10.3866/PKU.WHXB20110305
5038
Abstract/Metrics
2229
PDF(484KB)
Mechanisms and Kinetics of the HOSO+NO Reaction
LI Xiao-Yan, LIU Qun, ZHENG Shi-Jun, MENG Ling-Peng
The mechanism of the reaction between HOSO and NO was investigated at the B3LYP/6-311++G(d,p) level of theory. The geome...
2011, 27 (03): 564-570.
DOI: 10.3866/PKU.WHXB20110308
4701
Abstract/Metrics
2148
PDF(761KB)
Reaction Mechanisms between (Cl-nacnac)Pt(H) and a Terminal Alkyne
WANG Jia-Yong, BI Si-Wei, ZHAO Jun-Feng
On the basis of Templeton′s experiment (West, N. M.; et al. Organometallics 2008, 27, 5252), the mechanisms of the...
2011, 27 (03): 571-576.
DOI: 10.3866/PKU.WHXB20110312
5831
Abstract/Metrics
1951
PDF(845KB)
Mechanism of AuCl
3
-Catalyzed Synthesis of Highly Substituted Furans Based on 2-(1-Alkynyl)-2-alken-1-ones
AN Xiao-Ying, HE Rong-Xing, HUANG Cheng, LI Ming
We investigated the mechanism of the AuCl3-catalyzed synthesis of highly substituted furans from 2-(1-alkynyl)-2-alken-1...
2011, 27 (03): 577-583.
DOI: 10.3866/PKU.WHXB20110338
5213
Abstract/Metrics
1837
PDF(690KB)
Second-Order Nonlinear Optical Properties of Organic Heteroaromatic Molecules with Carbazole Chromophores
ZHAO Min, ZHANG Yuan, WANG Lu
Density functional theory (DFT) B3LYP/6-31G* method was used to optimize the geometrical structures of a series of heter...
2011, 27 (03): 584-588.
DOI: 10.3866/PKU.WHXB20110316
5405
Abstract/Metrics
1744
PDF(548KB)
Effect of Substituents on the Optical Properties of 3(5)-(9-Anthryl) Pyrazole
WANG Kun-Peng, WANG Chang-Sheng
The ground state (S0) structures of 3(5)-(9-anthryl) pyrazole and its derivatives were obtained using the density functi...
2011, 27 (03): 589-594.
DOI: 10.3866/PKU.WHXB20110303
4494
Abstract/Metrics
1698
PDF(560KB)
A First-Principles Method for Predicting Redox Potentials of Nucleobases and the Metabolites in Aqueous Solution
LI Min-Jie, LIU Wei-Xia, PENG Chun-Rong, LU Wen-Cong
Redox potentials are of importance in understanding the charge/electron transfer processes involved in nucleic acids. In...
2011, 27 (03): 595-603.
DOI: 10.3866/PKU.WHXB20110333
4938
Abstract/Metrics
Supporting Info
1813
PDF(740KB)
ELECTROCHEMISTRY AND NEW ENERGY
Electrocatalytic Performance of Pd Catalyst Supported on Macropore Carbon for Oxidation of Formic Acid
LIU Chun-Yan, XU Bin, TANG Ya-Wen, CAO Gao-Ping, YANG Yu-Sheng, LU Tian-Hong
The electrocatalytic performances of a Vulcan XC-72 carbon black supported Pd (Pd/XC) catalyst and a macroporous carbon ...
2011, 27 (03): 604-608.
DOI: 10.3866/PKU.WHXB20110301
5078
Abstract/Metrics
2479
PDF(2695KB)
Synthesis and Properties of Spindle-Shaped LiFePO
4
for the Cathode Material of Lithium Ion Battery
SU Chang, LU Guo-Qiang, XU Li-Huan, ZHANG Cheng, MA Chun-An
We synthesized LiFePO4 directly by a solvothermal method at low temperature and then a heat treatment was carried out to...
2011, 27 (03): 609-614.
DOI: 10.3866/PKU.WHXB20110241
4965
Abstract/Metrics
2434
PDF(434KB)
Supercapacitance of NiCo
2
O
4
Nanowire Arrays Grown on Nickel Foam
YU Li-Qiu, CHEN Shu-Li, CHANG Sha, LI Yun-Hu, GAO Yin-Yi, WANG Gui-Ling CAO Dian-Xue
We prepared an electrode consisting of NiCo2O4 nanowire arrays that stand freely on nickel foam by a template-free growt...
2011, 27 (03): 615-619.
DOI: 10.3866/PKU.WHXB20110317
6042
Abstract/Metrics
4194
PDF(638KB)
Preparation of Microporous Carbon Using a Zeolite HY Template and Its Capacitive Performance
LI Wen, ZHOU Jin, XING Wei, ZHUO Shu-Ping, Lü Yi-Min
Several microporous carbons were prepared by polyfurfuryl alcohol-impregnation and impregnation-acetonitrile chemical va...
2011, 27 (03): 620-626.
DOI: 10.3866/PKU.WHXB20110331
5128
Abstract/Metrics
2631
PDF(925KB)
Catalytic Oxidation of Sulfide Ion over a Spherular-Co
3
O
4
Electrode
LAO Guo-Hong, SHAO Hai-Bo, FAN Yu-Qian, WANG Jian-Ming, ZHANG Jian-Qing, CAO Chu-Nan
Spherular-Co3O4 particles were synthesized on graphite electrode surface by ammonia-evaporation-induction. Its electroox...
2011, 27 (03): 627-632.
DOI: 10.3866/PKU.WHXB20110240
4895
Abstract/Metrics
1756
PDF(654KB)
Electrochemical Study on Electroless Nickel Plating Using Sodium Borohydride as the Reductant
JIA Fei, WANG Zhou-Cheng
We studied electroless Ni-B plating with sodium borohydride as the reductant by linear sweep voltammetry. The effects of...
2011, 27 (03): 633-640.
DOI: 10.3866/PKU.WHXB20110302
7130
Abstract/Metrics
3454
PDF(733KB)
Mechanism of Au Electrodeposition onto Indium Tin Oxide
TANG Jing, TIAN Xiao-Chun, ZHOU Fu-Qing, LIU Yue-Qiang, LIN Jian-Hang
Cyclic voltammetric and chronoamperometric methods were used to study the initial stage of Au electrodeposition on an in...
2011, 27 (03): 641-646.
DOI: 10.3866/PKU.WHXB20110322
6664
Abstract/Metrics
3043
PDF(828KB)
Corrosion Inhibition by Sorbitol/Diethylenetriamine Condensation Product for Carbon Steel in 3.5% NaCl Saturated Ca(OH)
2
Solution
ZHOU Xin, YANG Huai-Yu, WANG Fu-Hui
The inhibitive action of a sorbitol/diethylenetriamine condensation (SDC) product toward carbon steel corrosion in satur...
2011, 27 (03): 647-654.
DOI: 10.3866/PKU.WHXB20110315
5386
Abstract/Metrics
2069
PDF(779KB)
Effect of Alkylimidazolium Ionic Liquids on the Corrosion Inhibition of Copper in Sulfuric Acid Solution
ZHANG Qi-Bo, HUA Yi-Xin
The effects of three newly synthesized alkylimidazolium based ionic liquids: 1-butyl-3- methylimidazolium hydrogen sulfa...
2011, 27 (03): 655-663.
DOI: 10.3866/PKU.WHXB20110339
5560
Abstract/Metrics
2094
PDF(803KB)
SOFT MATTER
Synthesis and Solution Properties of the Photo-Sensitive Telechelic Polymer——Coumarin-Containing Poly(4-vinylpyridine)
JIANG Jin-Qiang, QIANG Jing, NI Zhong-Bin, SONG Xiao-Qing, ZHANG Hong-Wu, LIU Xiao-Ya, CHEN Ming-Qing
A novel photo-sensitive telechelic polymer——coumarin-containing poly(4-vinylpyridine) (C- P4VP) was prepared...
2011, 27 (03): 664-670.
DOI: 10.3866/PKU.WHXB20110238
5894
Abstract/Metrics
2575
PDF(756KB)
Interaction of Hydrophobically Associating Polyacrylamide with Gemini Surfactant
CHEN Hong, LI Er-Xiao, YE Zhong-Bin, HAN Li-Juan, LUO Ping-Ya
A fatty acid disulfonate anionic gemini surfactant was prepared and the structure of the surfactant was characterized by...
2011, 27 (03): 671-676.
DOI: 10.3866/PKU.WHXB20110306
5669
Abstract/Metrics
2486
PDF(667KB)
CATALYSIS AND SURFACE SCIENCE
Acid Dye Adsorption Properties of Ethylenediamine-Modified Magnetic Chitosan Nanoparticles
ZHOU Li-Min, SHANG Chao, LIU Zhi-Rong
Ethylenediamine-modified magnetic chitosan nanoparticles (EMCN) were prepared and used for the adsorption of Acid Orange...
2011, 27 (03): 677-682.
DOI: 10.3866/PKU.WHXB20110314
6157
Abstract/Metrics
1927
PDF(638KB)
Preparation of Sulfonated Carbon Nanotubes/Activated Carbon Composite Beads and Their Adsorption Capacity for Low Density Lipoprotein
LU Yue-Mei, GONG Qian-Ming, LU Fang-Ping, LIANG Ji, NIE Qing-Dong, ZHANG Xiu-Mei
Sulfonated carbon nanotubes (CNTs)/activated carbon composite beads were obtained by suspension polymerization, carboniz...
2011, 27 (03): 683-688.
DOI: 10.3866/PKU.WHXB20110307
6320
Abstract/Metrics
2665
PDF(790KB)
Synthesis of Micro/Mesoporous Composites and Their Application as CO
2
Adsorbents
MA Yan-Hui, ZHAO Hui-Ling, TANG Sheng-Jie, HU Jun, LIU Hong-Lai
We synthesized a series of micro/mesoporous composites of S-β-MCM41(c), P-β-MCM41(c), P-ZSM-MCM41(c), P-ZSM-C ...
2011, 27 (03): 689-696.
DOI: 10.3866/PKU.WHXB20110335
5645
Abstract/Metrics
3642
PDF(931KB)
Mechanism of Biogas Reforming for Hydrogen Production over Ni-Co Bimetallic Catalyst
XU Jun-Ke, SHEN Li-Hong, ZHOU Wei, MA Jian-Xin
Ni-Co bimetallic catalysts supported on commercial γ-Al2O3 modified with La2O3 were prepared by conventional incip...
2011, 27 (03): 697-704.
DOI: 10.3866/PKU.WHXB20110309
6623
Abstract/Metrics
1911
PDF(785KB)
Effect of Supports on the Catalytic Performance of Pd-Cu/Activated Carbon Catalyst for Eliminating CO in Cigarette Smoke
ZHAN Wang-Cheng, ZHOU Guo-Jun, CHU Guo-Hai, SHEN Kai, YU Jun, WANG Ai-Yong, SU Na, LU Guan-Zhong, GUO Yang-Long
Pd-Cu/activated carbon catalysts were prepared by wetness impregnation and their performance in the room-temperature cat...
2011, 27 (03): 705-710.
DOI: 10.3866/PKU.WHXB20110311
4972
Abstract/Metrics
2061
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Pt-Ni Catalyst Supported on CMK-5 for the Electrochemical Oxidation of Methanol
DING Xiao-Chun, CHEN Xiu, ZHOU Jian-Hua, WANG Tao, SUN Dun, HE Jian-Ping
Pt-Ni alloy catalysts with different atomic ratios were deposited on CMK-5 (carbon replicated from SBA-15 silica) by NaB...
2011, 27 (03): 711-716.
DOI: 10.3866/PKU.WHXB20110327
4604
Abstract/Metrics
2184
PDF(695KB)
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
Third Order Nonlinear Optical Properties of Benzyltriethylamine Bis(2-thioxo-1,3-dithiole-4,5-dithiolato) Aurate(III)
CHEN Jing-Wei, WANG Xin-Qiang, REN Quan, LI Ting-Bin, YANG Hong-Liang, ZHANG Jing-Nan, LI Guo-Chao
We prepared a new crystalline nonlinear optical coordination compound, benzyltriethylamine bis (2-thioxo-1,3-dithiole-4,...
2011, 27 (03): 717-721.
DOI: 10.3866/PKU.WHXB20110340
4849
Abstract/Metrics
1731
PDF(2692KB)
PHYSICAL CHEMISTRY OF MATERIALS
Preparation and Antibacterial Properties of Water-Soluble Ag Nanoparticles
SUN Lei, LIU Ai-Xin, HUANG Hong-Ying, TAO Xiao-Jun, ZHAO Yan-Bao, ZHANG Zhi-Jun
Water-soluble surface modified silver nanoparticles were synthesized by liquid phase reduction with tannic acid as the r...
2011, 27 (03): 722-728.
DOI: 10.3866/PKU.WHXB20110235
6357
Abstract/Metrics
4250
PDF(593KB)
Delicately Controlled Synthesis of Mesoporous Carbon Materials with Thin Pore Walls
WANG Yu, YU Gang, CAI Bin, ZHU Yue-Xiang, XIE You-Chang
Mesoporous carbon materials with a range of pore sizes were synthesized by a delicately controlled procedure using disor...
2011, 27 (03): 729-735.
DOI: 10.3866/PKU.WHXB20110321
4950
Abstract/Metrics
1783
PDF(759KB)
Synthesis and Structural Characterization of Graphene-Based Membranes
YANG Yong-Hui, SUN Hong-Juan, PENG Tong-Jiang, HUANG Qiao
A stable hydrosol of graphene was synthesized by oxidation reduction and then a flow assembly of this graphene was used ...
2011, 27 (03): 736-742.
DOI: 10.3866/PKU.WHXB20110320
11018
Abstract/Metrics
15116
PDF(655KB)
Controlled Synthesis of Mesoporous MnO
2
Nanospindles
HAN Ling, NI Ji-Peng, ZHANG Liang-Miao, YUE Bao-Hua, SHEN Shan-Shan, ZHANG Hao, LU Wen-Cong
We synthesized mesoporous MnO2 nanospindles by a one-step hydrothermal process in an aqueous solution of KMnO4 and gluco...
2011, 27 (03): 743-748.
DOI: 10.3866/PKU.WHXB20110318
5609
Abstract/Metrics
2024
PDF(606KB)
Fabrication of Large Area of Anodic Aluminum Oxide Ultrathin Film Directly onto an ITO Electrode with a Ti Buffer Layer
XIAO Lixin, DUAN Laiqiang, CHAI Junyi, WANG Yun, CHEN Zhijian, QU Bo, GONG Qihuang
An anodic aluminum oxide (AAO) ultrathin film (~140 nm, about half the thickness of the original Al film) was successful...
2011, 27 (03): 749-753.
DOI: 10.3866/PKU.WHXB20110310
6446
Abstract/Metrics
2380
PDF(650KB)
Electrostatically Self-Assembled Films Prepared Using Bipolar Thiophene Hemicyanine and Prussian Blue
WANG Zhi-Ping, LUO Hong, GAO Li-Hua, WANG Ke-Zhi
We successfully prepared a novel inorganic-organic hybrid electrostatically self-assembled multilayer film by alternatel...
2011, 27 (03): 754-758.
DOI: 10.3866/PKU.WHXB20110313
5108
Abstract/Metrics
1693
PDF(691KB)