Acta Phys. -Chim. Sin.

Table of Contents

Cover and Table of Contents for Vol.27 No. 11
Acta Phys. -Chim. Sin. 2011, 27 (11), 0.

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

Energy Characterization of Effect for Ions on the Structure of Water
HE Jin-Song, YANG Hong-Wei, GAN Xiao-Ling, CAI Ran, ZHU Song-Ming, YU Yong, LI Jian-Ping, MU Tai-Hua, ZHU Wan-Peng
At a concentration of 0-1.0 mol·L-1 the effect of salts (KCl, MgCl2, and CaCl2) on the structure of water was stu...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2499-2504. DOI: 10.3866/PKU.WHXB20111102

¹H NMR Investigation on Effect of Solute Concentration on the Hydrogen Bonding and Glass Transition of Three-Carbon Polyalcohol Aqueous Solutions
YE Bin, GAO Cai, ZHAO Han, CHEN Kai-Song, YANG Suo, LIU Xiang-Nong
We investigated the effects of solute concentration on the hydrogen bonding interactions of three-carbon polyalcohol aqu...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2505-2511. DOI: 10.3866/PKU.WHXB20111103

Preparation and Physicochemical Properties of Imidazolium Acetates and the Conductivities of Their Aqueous and Ethanol Solutions
HOU Hai-Yun, HUANG Yin-Rong, WANG Sheng-Ze, BAI Bo-Feng
The ionic liquids 1-methylimidazolium acetate ([Mim]Ac), 1,3-dimethylimidazolium acetate ([Mmim]Ac), and 1-ethyl-3-methy...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2512-2520. DOI: 10.3866/PKU.WHXB20111120

High Temporal and Spatial Resolution Measurements of the Rapid Efflorescence of Sea Salt Droplets
TONG Hai-Jie, QIAN Zheng-Gang, REID Jonathan P., ZHANG Yun-Hong
The rapid efflorescence of individual seawater droplets on polytetrafluoroethylene (PTFE, hydrophobic) and quartz (hydro...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2521-2527. DOI: 10.3866/PKU.WHXB20111121

Mechanism of Rare Earth Cations on the Stability and Acidity of Y Zeolites
YU Shan-Qing, TIAN Hui-Ping, ZHU Yu-Xia, DAI Zhen-Yu, LONG Jun
The influences of rare earth (RE) cations on the stability and acidity of Y zeolites were studied by X-ray powder diffra...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2528-2534. DOI: 10.3866/PKU.WHXB20111101

Analysis and Assignment of the Fluorescence Spectra of a Salt/Methanol System
WU Xiao-Jing, DAI Yun, ZHANG Nan, LI Jing
Fluorescence spectra of CaCl2, LiCl, and Ca(NO3)2 in methanol were investigated and the structures and excitation energy...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2535-2540. DOI: 10.3866/PKU.WHXB20111006

Spectral Research into Intramolecular Photoinduced Electron Transfer of Porphyrin-Anthraquinone Hybrids
ZHAO Ping, XU Lian-Cai, MA Li
A series of covalently linked porphyrin (Por)-anthraquinone (AQ) hybrids Por-Cn-AQ (n=1, 4, 10) with flexible different ...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2541-2546. DOI: 10.3866/PKU.WHXB20111021

THEORETICAL AND COMPUTATIONAL CHEMISTRY

Hydrogen Bond Lifetime Definitions and the Relaxation Mechanism in Water Solutions
ZHANG Xia, ZHANG Qiang, ZHAO Dong-Xia
The molecular dynamics behaviors in water solutions are determined by the hydrogen bond (H-bond) relaxations. The H-bond...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2547-2552. DOI: 10.3866/PKU.WHXB20111107

Calculation of the Binding Energies of Different Types of Hydrogen Bonds Using GGA Density Functional and Its Long-Range, Empirical Dispersion Correction Methods
SUN Tao, WANG Yi-Bo
We investigated eleven exchange-correlation energy density functionals including generalized gradient approximation (GGA...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2553-2558. DOI: 10.3866/PKU.WHXB20111017

Dynamics Simulation of Photophysical Deactivation Pathway for Stacked Thymines
DOU Yu-Sheng, LI Wei, YUAN Shuai, ZHANG Wen-Ying, LI An-Yang, SHU Kun-Xian, TANG Hong
A semiclassical dynamics simulation study was undertaken to determine the photophysical deactivation of the lowest excit...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2559-2564. DOI: 10.3866/PKU.WHXB20111115

Interaction between Mg-Porphyrin and Nitrogen, Oxygen Heterocyclic Compounds
XU Hui-Ying, WANG Wei
The interaction between nitrogen-oxygen heterocyclic compounds and a host (magnesium porphyrin) was investigated. The re...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2565-2570. DOI: 10.3866/PKU.WHXB20111127

ELECTROCHEMISTRY AND NEW ENERGY

All-Lead Redox Flow Battery in a Fluoroboric Acid Electrolyte
LIU Dong-Yang, CHENG Jie, PAN Jun-Qing, WEN Yue-Hua, CAO Gao-Ping, YANG Yu-Sheng
An all-lead redox flow battery in a fluoroboric acid electrolyte is proposed. The same electrolyte was used as both the ...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2571-2576. DOI: 10.3866/PKU.WHXB20111105

Optimization of the Photoelectric Performance of Large-Scale All-Flexible Dye-Sensitized Solar Cells
LIN Xiao, WU Ming-Xing, AN Jiang, MIAO Qing-Qing, QIN Da, MA Ting-Li
Highly efficient large scale flexible dye-sensitized solar cells (DSCs) were successfully designed and fabricated. By th...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2577-2582. DOI: 10.3866/PKU.WHXB20111112

Improved Graphene Film by Reducing Restacking for Lithium Ion Battery Applications
YANG Xiao-Wei, HE Yu-Shi, LIAO Xiao-Zhen, MA Zi-Feng
We prepared improved graphene films by freeze drying solvated graphene films, which greatly reduced the serious restacki...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2583-2586. DOI: 10.3866/PKU.WHXB20111123

Calcination Temperature Effects on the Electrochemical Performance of Li₂MnSiO₄/C Cathode Material for Lithium Ion Batteries
WEI Yi, WANG Li-Juan, YAN Ji, SHA Ou, TANG Zhi-Yuan, MA Li
As a new potential cathode material for lithium ion batteries, Li2MnSiO4/C was synthesized by a solution method. The the...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2587-2592. DOI: 10.3866/PKU.WHXB20111124

Improvement of LiNi_1/3Co_1/3Mn_1/3O₂ Cathode Materials by Nano-MgO Doping
LI Jie-Bin, XU You-Long, XIONG Li-Long, WANG Jing-Ping
Nano-sized M3O4 (M=Ni1/3Co1/3Mn1/3) powder with a spinel structure was prepared by sintering co-precipitated M(OH)2 at 5...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2593-2599. DOI: 10.3866/PKU.WHXB20111104

Electrochemical Behavior of LiV₃O₈ in Aqueous Li₂SO₄ Solution
LIU Li, TIAN Fang-Hua, WANG Xian-You, ZHOU Meng
Nanostructured LiV3O8 powder was synthesized by a low-temperature solid-state method. Scanning election microscopy (SEM)...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2600-2604. DOI: 10.3866/PKU.WHXB20111126

Self-supporting Macroscopic Carbon/Ni-Fiber Hybrid Electrodes Prepared by Catalytic Chemical Vapor Deposition Using Various Carbonaceous Compounds and Their Capacitive Deionization Performance
WANG Xi-Wen, JIANG Fang-Ting, SUO Quan-Ling, FANG Yu-Zhu, LU Yong
We prepared a series of self-supported macroscopic C/Ni-fiber hybrid electrodes by catalytic chemical vapor deposition (...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2605-2612. DOI: 10.3866/PKU.WHXB20111116

Synthesis of ZnO on ITO and Etched Pattern Characterization by Scanning Electrochemical Microscopy
TANG Jing, ZHENG Jing-Jing, XU Wei, TIAN Xiao-Chun, LIN Jian-Hang
We report a direct electrochemical deposition process to produce ZnO nanorods or a ZnO thin film on an indium tin oxide ...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2613-2617. DOI: 10.3866/PKU.WHXB20111117

Effect of Rare Earth Ce³⁺ on the Microbial Induced Corrosion Behavior of Aluminum Alloy LY12CZ
ZHAO Yong, XUE Wen-Bin, LIU Hong-Fang
The effect of rare earth Ce3+ on the growth of sulfate reducing bacterial (SRB) and the microbial induced corrosion (MIC...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2618-2624. DOI: 10.3866/PKU.WHXB20111109

Synthesis and Characterization of Nd₂Fe₁₄B/PANI and Its Function during the Oxygen Transfer Process
SHI Ji-Cheng, XU Hong-Feng, LU Lu, FU Jie
Nd2Fe14B/PANI magnetic powder was prepared by ball milling and in-situ polymerization. The samples were characterized by...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2625-2631. DOI: 10.3866/PKU.WHXB20111133

CATALYSIS AND SURFACE SCIENCE

Effect of Fe/Co Mass Ratio on Catalytic Performances of Cu-Fe-Co Based Catalysts for Mixed Alcohols Synthesis
GUO Hai-Jun, XIONG Lian, LUO Cai-Rong, DING Fei, CHEN Xin-De, CHEN Yong
A series of Cu-Fe-Co based catalysts with different mass fractions of Fe and Co were prepared by co-impregnation method....
Acta Phys. -Chim. Sin. 2011, 27 (11), 2632-2638. DOI: 10.3866/PKU.WHXB20111114

Effect of Cerium Addition on the Catalytic Performance of Cu-Fe/SiO₂ for the Synthesis of Lower Alcohols from Syngas
MAO Dong-Sen, GUO Qiang-Sheng, YU Jun, HAN Lu-Peng, LU Guan-Zhong
A series of Ce-Cu-Fe/SiO2 catalysts with different Ce contents (mole fraction relative to SiO2, 0-20%) were prepared by ...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2639-2645. DOI: 10.3866/PKU.WHXB20111125

Effect of Preparation Methods on the Catalytic Activity of Ag-Ru/CeO₂ Catalyst for Ammonia Synthesis
ZHANG Liu-Ming, LIN Jian-Xin, WANG Rong, WEI Ke-Mei
Ag-Ru/CeO2 catalysts were prepared by co-precipitation (CP), modified deposition precipitation (MDP), and incipient-wetn...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2646-2650. DOI: 10.3866/PKU.WHXB20111129

Dimethyl Ether Synthesis from CO₂ Hydrogenation over CuO-TiO₂-ZrO₂/HZSM-5 Catalysts
WANG Song, MAO Dong-Sen, GUO Xiao-Ming, LU Guan-Zhong
A series of CuO-TiO2-ZrO2 mixed oxides with different CuO mass fractions (50%-80%) were prepared by co-precipitation and...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2651-2658. DOI: 10.3866/PKU.WHXB20111018

Selective Oxidation Performance of Propane over Supported Vanadium Oxide Catalysts
LIU Jian, ZHAO Zhen, WANG Hong-Xuan, DUAN Ai-Jun, JIANG Gui-Yuan
A series of SBA-15 supported vanadium oxide catalysts with different active components were prepared by the method of in...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2659-2664. DOI: 10.3866/PKU.WHXB20111108

Synthesis and Properties of Chemically Cross-Linked Poly(vinyl alcohol) Modified Quaterized Hydroxyethylcellulose Ethoxylate as Novel Alkaline Anion-Exchange Membrane
LIU Ling-Ling, DING Lei, XU Li, QIAO Jin-Li, SHENG Jia-Wei
Much attention has been paid to alkaline ion-exchange membranes with high alkaline stability. In this work, chemically c...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2665-2670. DOI: 10.3866/PKU.WHXB20111106

High Density Attachment of Silver Nanoparticles onto an NH₂⁺ Ion Implanted Indium Tin Oxide Glass Substrate
LI Shuo-Qi, LIU Lu, TIAN Hui-Feng, HU Jing-Bo
An effective approach to attach silver nanoparticles (AgNPs) directly onto an indium tin oxide (ITO) surface with high d...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2671-2676. DOI: 10.3866/PKU.WHXB20111135

Preparation and Application of a Cr₂O₃-α-AlF₃ Catalyst with a High Specific Surface Area
YU Hong-Bo, JIAWen-Zhi, PU Zhi-Ying, WANG Yue-Juan, LU Ji-Qing, TENG Bo-Tao, LUO Meng-Fei
A high specific surface area Cr2O3-α-AlF3 catalyst was prepared using a carbon hard template method. The synthesis...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2677-2681. DOI: 10.3866/PKU.WHXB20111014

PHOTOCHEMISTRY AND RADIATION CHEMISTRY

Photophysical and Photobiological Properties of Coordination Polymers of Hypocrellin B Complexes Containing Magnesium and Zinc
GUO Chuang-Long, OU Zhi-Ze, GAO Yun-Yan, WANG Zhong-Li, JIN He-Lin, LI Hai-Xia
Hypocrellin B (HB) can chelate with Mg2+ and Zn2+ ions to form the coordination complexes Mg2+-HB and Zn2+-HB, which con...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2682-2690. DOI: 10.3866/PKU.WHXB20111132

Inclusion Behavior of β-Cyclodextrin and Amphiphilic Telechelic Polymer C-PDMAEMA
JIANG Jin-Qiang, JIANG Tao, ZHANG Cheng-Bang, CHENG Hao, LIU Xiao-Ya, ZHANG Sheng-Wen, CHEN Ming-Qing
A novel photosensitive telechelic polymer C-PDMAEMA was prepared using 2-(dimethylamino) ethyl methacrylate (DAMEMA) as ...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2691-2696. DOI: 10.3866/PKU.WHXB20111019

BIOPHYSICAL CHEMISTRY

Action Mechanism of Secondary Bond Forces on Chemical Immobilization of Horseradish Peroxidase
LEI Qing-Juan, GAO Bao-Jiao, ZHANG Zheng-Guo
Glycidyl methacrylate (GMA) was graft-polymerized onto micron-sized silica gel particles. Ethylenediamine (EDA) was bond...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2697-2704. DOI: 10.3866/PKU.WHXB20111122

Brownian Dynamics Simulation of Three Nonlinear Interactions on the Folding Process of Single Completely Stretched DNA Chain
ZHANG Yong, XIAO Zhong-Dang
The folding dynamics of a completely stretched dexoxyribonucleic acid (DNA) molecule chain is an important feature of si...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2705-2710. DOI: 10.3866/PKU.WHXB20111111

PHYSICAL CHEMISTRY OF MATERIALS

One-Step Synthesis of Fe@SiO₂ and Its Application in Cr(VI) Removal
LI Yong-Chao, LI Tie-Long, WANG Xue, JIN Zhao-Hui
Without using aqueous ammonia and a surface modifier, a facile one-step method was developed to fabricate Fe nanoparticl...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2711-2718. DOI: 10.3866/PKU.WHXB20111134

Confined Synthesis and Properties of Porous Silicon from Silica Aerogel Templates by Magnesiothermic Reduction
CHEN Ke, BAO Zhi-Hao, LIU Dong, ZHU Xiu-Rong, ZHANG Zhi-Hua, ZHOU Bin
Novel nanoporous silicon was successfully converted from SiO2 aerogels by a template-confined magnesiothermic reduction ...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2719-2725. DOI: 10.3866/PKU.WHXB20111110

Preparation of TiO₂ Nanotube Arrays with Different Cerium Mixing Morphology and Their Photoelectrochemical Response in Visible Light
ZHANG Sheng-Han, LIANG Ke-Xin, TAN Yu
Well-ordered TiO2 nanotube arrays were prepared by electrochemical anodization onto a pure Ti sheet in an organic soluti...
Acta Phys. -Chim. Sin. 2011, 27 (11), 2726-2732. DOI: 10.3866/PKU.WHXB20111131