Table of Contents

• Cover and Table of Contents for Vol.27 No. 2
• Acta Phys. -Chim. Sin. 2011, 27 (02), 0.

• 3076Abstract/Metrics
• 20831 PDF(34492KB)

REVIEW

• Recent Advances in Fluorophosphate and Orthosilicate Cathode Materials for Lithium Ion Batteries
• ZHANG Qiu-Mei, SHI Zhi-Cong, LI Yi-Xiao, GAO Dan, CHEN Guo-Hua, YANG Yong
• We review recent research on fluorophosphate and orthosilicate cathode materials for lithium ion batteries. Emphasis is ...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 267-274. DOI: 10.3866/PKU.WHXB20110217

• 7449Abstract/Metrics
• 3924 PDF(4657KB)

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

• Experimental and Theoretical Study of the Synergistic Inhibitive Effect of SDBS and HA
• HU Song-Qing, YU Li-Jun, YAN You-Guo, ZHANG Jun, REN Zhen-Jia, TI Yang
• The synergistic inhibitive effect of sodium dodecylbenzene sulfonate (SDBS) and hexamethylene tetramine (HA) toward Q235...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 275-280. DOI: 10.3866/PKU.WHXB20110215

• 6108Abstract/Metrics
• 2478 PDF(6613KB)

• Preparation, Characterization, Decomposition Mechanism and Non-Isothermal Decomposition Reaction Kinetics of the Super Thermite Al/CuO Precursor
• AN Ting, ZHAO Feng-Qi, YI Jian-Hua, FAN Xue-Zhong, GAO Hong-Xu, HAO Hai-Xia, WANG Xiao-Hong, HU Rong-Zu, PEI Qing
• The super thermite Al/CuO precursor was prepared using Cu(NO3)2·3H2O, C2H5OH, 1,2-epoxy propane and nano-Al as ra...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 281-288. DOI: 10.3866/PKU.WHXB20110213

• 6622Abstract/Metrics
• 3261 PDF(4171KB)

• Effect of Temperature on the Structural and Thermodynamic Properties of Aqueous Dimethyl Sulfoxide
• LIU Bo, HUANG Shi-Ping, ZHU Ji-Qin, WANG Peng, TIAN Hui-Ping
• The structural and thermodynamic properties of aqueous dimethyl sulfoxide (DMSO) at a mole fraction of 0.002 were invest...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 289-294. DOI: 10.3866/PKU.WHXB20110203

• 5839Abstract/Metrics
• 2268 PDF(3408KB)

• A Phase Equilibrium Model for Gas Hydrates Considering Pore-Size Distribution of Sediments
• YAN Rong-Tao, WEI Hou-Zhen, WU Er-Lin, WANG Shu-Yun, WEI Chang-Fu
• The phase equilibrium condition for gas hydrates has been an important and difficult subject in gas hydrate-related rese...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 295-301. DOI: 10.3866/PKU.WHXB20110204

• 5718Abstract/Metrics
• 2087 PDF(4840KB)

THEORETICAL AND COMPUTATIONAL CHEMISTRY

• Electronic Spectra and Nonlinear Optical Properties of 8-Hydroxyquinolinolate-Ag (Pt) Metal Complexes
• WEI Hang, ZHANG Rong-Hong, YUAN Bo, YANG Fan, LI Quan, ZHAO Ke-Qing
• Density functional theory with the B3LYP level was used to investigate the nonlinear optical properties of 8-hydroxyquin...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 302-308. DOI: 10.3866/PKU.WHXB20110223

• 6093Abstract/Metrics
• 2390 PDF(8648KB)

• Structures, Infrared Spectra and Reactivities of (+)-Catechin Metal Complexes
• WANG Xiao-Wei, JIANG Gang, DU Ji-Guang
• We investigated the structures, infrared spectra, and reactivities of (+)-catechin (Cc, C15H14O6) and its metal complexe...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 309-314. DOI: 10.3866/PKU.WHXB20110202

• 6836Abstract/Metrics
• 2743 PDF(3166KB)

• Electronic Structures and Nonlinear Optical Properties of Pyridine- Based Ru(II) Complexes Containing Thiophene Rings
• SUN Xiu-Xin, LIU Yan, ZHAO Hai-Bo, SUN Shi-Ling, LIU Chun-Guang, QIU Yong-Qing
• Density functional theory (DFT) with the B3LYP functional was used to investigate the electronic structures and nonlinea...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 315-321. DOI: 10.3866/PKU.WHXB20110236

• 5899Abstract/Metrics
• 1983 PDF(5008KB)

• Reaction Mechanism and Solvent Effects of Styrene Epoxidation with Hydrogen Peroxide
• WANG Zhi-Qiang, SUN Wen-Jing, CHU Wei, YU Liang-Jun
• In this paper, styrene epoxidation with hydrogen peroxide was used as a model reaction. The Dmol3 implementation in the ...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 322-328. DOI: 10.3866/PKU.WHXB20110218

• 9919Abstract/Metrics
• 6841 PDF(3993KB)

• Reaction Mechanisms of CO Oxidation Catalyzed by Binary Copper Group Cluster Anions
• HU Jian-Ping, WANG Jun, TANG Dian-Yong, FU Qin-Chao, ZHANG Yuan-Qin
• The detailed mechanisms of CO oxidation catalyzed by AuAg-, AuCu-, and AgCu- were investigated using density functional ...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 329-336. DOI: 10.3866/PKU.WHXB20110226

• 6746Abstract/Metrics
• 2024 PDF(3427KB)

• Mechanism and Kinetics of the CH₃OCF₂CF₂OCH₃+Cl Reaction
• CUI Feng-Chao, YU Hong-Bo, WANG Qin, YE Wan-Li, LIU Jing-Yao
• A direct density functional theory dynamics method was used to determine the mechanism and kinetics of the CH3OCF2CF2OCH...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 337-342. DOI: 10.3866/PKU.WHXB20110201

• 5523Abstract/Metrics
• 2978 PDF(8692KB)

• Support Vector Machine and KStar Models Predict the o-Dealkylation Reaction Mediated by Cytochrome P450
• WANG Dan, ZHANG Yan-Ling, QIAO Yan-Jiang
• We constructed a nested prediction model based on support vector machines (SVM) and the KStar method. The models consist...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 343-351. DOI: 10.3866/PKU.WHXB20110219

• 5014Abstract/Metrics
• 1991 PDF(895KB)

• Interaction and Properties of Proline-Ag and -Ag⁺ Complexes
• WANG Chao-Jie, CAI Yue-Piao, HUANG Xu-Hui, WEI Tao
• We calculated the geometrical and electronic structures, rotational and vibrational frequencies, and energetics of diffe...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 352-362. DOI: 10.3866/PKU.WHXB20110232

• 6184Abstract/Metrics
• Supporting Info
• 2401 PDF(2912KB)

• Adsorption of O₂ and CN on the Copper Activated Sphalerite (110) Surface
• CHEN Ye, CHEN Jian-Hua, GUO Jin
• The simulations of O2 and CN adsorption on copper activated sphalerite (110) surface are performed by using plane wave-p...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 363-368. DOI: 10.3866/PKU.WHXB20110207

• 5717Abstract/Metrics
• 2031 PDF(999KB)

• Effects of Vacancy and Boron Doping on Si Adsorption on Graphene
• DAI Xian-Qi, LI Yan-Hui, ZHAO Jian-Hua, TANG Ya-Nan
• First-principles calculations based on density functional theory were carried out to study the effects of monovacancy an...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 369-373. DOI: 10.3866/PKU.WHXB20110224

• 7961Abstract/Metrics
• 3277 PDF(2002KB)

• Molecular Dynamics Simulation of the Adsorption and Diffusion of a Single Hydrophobic Polymer Chain on a Hydrophobic Surface
• MU Dan, ZHOU Yi-Han
• The adsorption and diffusion of polyethylene (PE) with different degrees of polymerization (N) on a silicon (111) surfac...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 374-378. DOI: 10.3866/PKU.WHXB20110229

• 5253Abstract/Metrics
• 2477 PDF(2310KB)

• Structures and Binding Energies of Sr²⁺/Ba²⁺-Water Systems by Ab initio and ABEEM/MM Method
• LIU Yan, WANG Fang-Fang, YU Chun-Yang, LIU Cui, Gong Li-Dong, YANG Zhong-Zhi
• Hydrated clusters of Sr2+/Ba2+(H2O)n (n=1-6) were investigated by the ab initio method and the ABEEM/MM fluctuating char...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 379-387. DOI: 10.3866/PKU.WHXB20110233

• 5536Abstract/Metrics
• 2444 PDF(5318KB)

• Electronic and Band Structures of Hexagonal Multiferroic HoMnO₃
• ZHONG Chong-Gui, FANG Jing-Huai, YANG Jian-Hua, DONG Zheng-Chao, JIANG Xue-Fan
• We investigated the magnetism, electronic and band structures of hexagonal HoMnO3 using density functional theory (DFT) ...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 388-394. DOI: 10.3866/PKU.WHXB20110220

• 4886Abstract/Metrics
• 2941 PDF(4800KB)

ELECTROCHEMISTRY AND NEW ENERGY

• Polarization Loss of Single Solid Oxide Electrolysis Cells and Microstructural Optimization of the Cathode
• YU Bo, LIU Ming-Yi, ZHANG Wen-Qiang, ZHANG Ping, XU Jing-Ming
• High temperature steam electrolysis (HTSE)，which is the electrolysis of steam at high temperature with high efficiency u...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 395-402. DOI: 10.3866/PKU.WHXB20110214

• 5161Abstract/Metrics
• 2627 PDF(11214KB)

• Phase Structure and Hydrogen Storage Properties of LaMg_8.40Ni_2.34 Alloy
• LI Jin-Hua, LIU Bao-Zhong, HAN Shu-Min, HU Lin, ZHU Xi-Lin, WANG Ming-Zhi
• The LaMg8.40Ni2.34 alloy was prepared by vacuum induction melting and subsequent heating treatment. The phase structure,...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 403-407. DOI: 10.3866/PKU.WHXB20110206

• 6177Abstract/Metrics
• 2082 PDF(1864KB)

• Room Temperature Synthesis of Rutile TiO₂ and Its Application in Dye-Sensitized Solar Cells
• LIU Jia, YANG Hao-Tian, ZHANG Jing-Bo, ZHOU Xiao-Wen, LIN Yuan
• We prepared rutile TiO2 powders of good crystallinity by hydrolyzing a Ti(OC4H9)4 precursor at room temperature and by r...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 408-412. DOI: 10.3866/PKU.WHXB20110237

• 4574Abstract/Metrics
• 3010 PDF(2839KB)

• Photovoltaic Properties and Mechanism Analysis of a Dye/Al₂O₃ Alternating Assembly Structure by Electrochemical Impedance Spectroscopy
• GAO Rui, MA Bei-Bei, WANG Li-Duo, SHI Yan-Tao, DONG Hao-Peng, QIU Yong
• N3 dye and Al2O3 were used to form an alternating assembly structure. The current density-voltage (J-V) characterization...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 413-418. DOI: 10.3866/PKU.WHXB20110234

• 5022Abstract/Metrics
• 2227 PDF(3051KB)

• Self-Assembly of 3-Aminopropyltrimethoxysilane to Improve the Efficiency of Dye-Sensitized Solar Cells
• LAO Chun-Feng, CHU Zeng-Ze, ZOU De-Chun
• A dye-sensitized solar cell (DSSC) based on a 3-aminopropyltrimethoxysilane (APTS)- modified TiO2 electrode was fabricat...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 419-424. DOI: 10.3866/PKU.WHXB20110209

• 6670Abstract/Metrics
• 2583 PDF(3575KB)

• Effect of Blocking Layers Prepared by the Hydrolysis of TiCl₄ Solution on the Photovoltaic Performance of a Dye-Sensitized Solar Cell
• CHEN Dong-Po, ZHANG Xiao-Dan, WEI Chang-Chun, LIU Cai-Chi, ZHAO Ying
• Blocking layer thin films were prepared on a conductive fluorine-doped tin oxide (FTO) substrate by the hydrolysis of Ti...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 425-431. DOI: 10.3866/PKU.WHXB20110222

• 5314Abstract/Metrics
• 3559 PDF(3533KB)

• Effect of Se Vapor Concentration on CIGS Film Preparation
• LIAO Cheng, HAN Jun-Feng, JIANG Tao, XIE Hua-Mu, JIAO Fei, ZHAO Kui
• We applied the “selenization of stack element layers” method to the preparation of CuIn1-xGaxSe2 (CIGS) film...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 432-436. DOI: 10.3866/PKU.WHXB20110231

• 5030Abstract/Metrics
• 3281 PDF(2525KB)

• Effect of Calcination Atmosphere on Li/Ni Disorder and Electrochemical Performance of Layered LiNi_0.5Mn_0.5O₂
• WANG Xiao-Ya, CHENG Qian, HUANG Tao, YU Ai-Shui
• Layered LiNi0.5Mn0.5O2 was synthesized by a solid state reaction method under air or oxygen atmosphere. The obtained mat...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 437-442. DOI: 10.3866/PKU.WHXB20110239

• 6191Abstract/Metrics
• 3716 PDF(6974KB)

• Synthesis and Electrochemical Performance of Nitrogen-Doped Carbon Nanotubes
• LI Li-Xiang, LIU Yong-Chang, GENG Xin, AN Bai-Gang
• We treated carbon nanotubes (CNTs) with hydrazine hydrate and diethylenetriamine separately and characterized them using...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 443-448. DOI: 10.3866/PKU.WHXB20110225

• 10754Abstract/Metrics
• 5952 PDF(14755KB)

• Asymmetric Capacitance Behavior Based on the Relationship between Ion Dimension and Pore Size
• SUN Gang-Wei, SONG Wen-Hua, LIU Xiao-Jun, QIAO Wen-Ming, LING Li-Cheng
• We reported on the capacitive behaviors regarding to the relationship between ion size and pore architecture, using acti...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 449-454. DOI: 10.3866/PKU.WHXB20110205

• 5111Abstract/Metrics
• 2313 PDF(5849KB)

• Preparation of Water Soluble Chitosan-Based Porous Carbon/NiO Composites and Their Electrochemical Capacitive Behavior
• ZHANG Hai-Jun, ZHANG Xiao-Gang, YUAN Chang-Zhou, GAO Bo, SUN Kang, FU Qing-Bin, LU Xiang-Jun, JIANG Jian-Chun
• Porous carbons were prepared by the carbonization of water soluble chitosan and they were then used to synthesize porous...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 455-460. DOI: 10.3866/PKU.WHXB20110228

• 6158Abstract/Metrics
• 3385 PDF(2500KB)

• Electrochemical Behavior of IrO₂ Electrodes in the Anodic Electrodeposition of MnO₂
• SHI Yan-Hua, MENG Hui-Min
• The electrochemical behavior of IrO2 electrodes in a MnSO4 plating solution and in a H2SO4 solution at different tempera...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 461-467. DOI: 10.3866/PKU.WHXB20110216

• 5271Abstract/Metrics
• 2427 PDF(4783KB)

• Electrochemical Behavior of Redox Proteins on ZnO Nanorod-Modified Electrodes Prepared by Electrodeposition
• HAN Nan-Nan, WANG Hui, LI Na, ZHOU Jian-Zhang, LIN Zhong-Hua, WU Di, WAN Guo-Jiang
• We successfully prepared ZnO nanorod-modified Au (ZnO nanorod/Au) electrodes using one-step cathodic electrodeposition. ...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 468-472. DOI: 10.3866/PKU.WHXB20110210

• 5564Abstract/Metrics
• 2434 PDF(3059KB)

• Electrochemical Properties of the Dawson-Type Heteropolytungstate Anion P₂W₁₈O₆₂^6- and Its O₂ Reduction Electrocatalysis
• WANG Chong-Tai, HUA Ying-Jie, SUN Zhen-Fan, WEI Ji-Chong, LI Tian-Lue, TONG Ye-Xiang, LIU Xiao-Yang
• The electrochemical properties of the Dawson-type heteropolyanion P2W18O626- were studied in detail by cyclic voltammetr...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 473-478. DOI: 10.3866/PKU.WHXB20110208

• 5007Abstract/Metrics
• 2041 PDF(3551KB)

• Influence of Electrolyte Concentration and Temperature on the Capacitance of Activated Carbon
• TIAN Ying, YAN Jing-Wang, XUE Rong, YI Bao-Lian
• The influences of electrolyte concentration and temperature on the capacitive behavior of activated carbon (AC) were inv...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 479-485. DOI: 10.3866/PKU.WHXB20110221

• 8133Abstract/Metrics
• 2588 PDF(7316KB)

SOFT MATTER

• Gelation of n-Butanol by a Catanionic Surfactant System
• LU Ting, WANG Xiao-Dong, ZHANG Tao
• The gelation of n-butanol was realized by a mixture of cationic and anionic surfactants (referred to as “catanioni...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 486-490. DOI: 10.3866/PKU.WHXB20110211

• 6356Abstract/Metrics
• 2261 PDF(10710KB)

CATALYSIS AND SURFACE SCIENCE

• Polyoxotungstate-Modified Zirconia Aerogel as a Solid Catalyst for Tetrahydrofuran Polymerization
• ZHU Qing, LIANG Li-Ping, JIA Zhi-Qi, GAO Chun-Guang, ZHAO Yong-Xiang
• Catalysts with different loadings (mass fractions from 5% to 45%) of tungstophosphoric acid (TPA) on zirconia were prepa...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 491-498. DOI: 10.3866/PKU.WHXB20110212

• 5406Abstract/Metrics
• 2181 PDF(730KB)

• One-Step Synthesis of Metal-Doped Mesoporous MCM-41 Materials and Their Application in Esterification Catalysis
• ZHAO Hui-Ling, XU Sheng, ZHOU Jian-Hai, HU Jun, LIU Hong-Lai
• Metals (Fe, Ti, Zr) were doped into mesoporous MCM-41 by a one-step method using cetyltriethylammonium bromide (CTAB) mi...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 499-504. DOI: 10.3866/PKU.WHXB20110227

• 5781Abstract/Metrics
• Supporting Info
• 2558 PDF(2614KB)

• Effects of Rare Earth Ce Doping on the Structure and Photocatalytic Performance of ZnO
• YU Chang-Lin, YANG Kai, YU Jimmy C, PENG Peng, CAO Fang-Fang, LI Xin, ZHOU Xiao-Chun
• A series of ZnO photocatalysts doped with different amounts of cerium were prepared by co-precipitation and then calcine...
• Acta Phys. -Chim. Sin. 2011, 27 (02), 505-512. DOI: 10.3866/PKU.WHXB20110230

• 8295Abstract/Metrics
• 3478 PDF(3743KB)