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Acta Phys. -Chim. Sin.
Acta Phys. -Chim. Sin.
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中文
Current Issue
2015 Vol. 31,No. 2
Published: 26 January 2015
Current column
Table of Contents
COMMUNICATION
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
Table of Contents
Cover and Table of Contents for Vol.31 No. 2
2015, 31 (2): 0.
988
Abstract/Metrics
1361
PDF(1572KB)
COMMUNICATION
Surface Enhanced Infrared Absorption Spectroscopic Investigation of CO Electrosorption and Electrooxidation on Pt Nanocrystals
DUOLIKUN Reyisha, YANG Yao-Yue, CAI Wen-Bin
Electrochemical attenuated total reflection-surface enhanced infrared absorption spectroscopy (ATRSEIRAS) has been used ...
2015, 31 (2): 199-203.
DOI: 10.3866/PKU.WHXB201412011
3780
Abstract/Metrics
1355
PDF(691KB)
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
Effect of Substituents on the NMR and UV Spectra of
N
-(4-substituted benzylidene) Anilines and
N
-(4-substituted benzylidene) Cyclohexylamines
CAO Chao-Tun, WEI Bai-Ying, CAO Chen-Zhong
Two series of compounds: N-(4-substituted benzylidene) anilines (1) and N-(4-substituted benzylidene) cyclohexylamines (...
2015, 31 (2): 204-210.
DOI: 10.3866/PKU.WHXB201412191
3278
Abstract/Metrics
1250
PDF(667KB)
Intermolecular Interaction Induced Multi-Polymers of Aceclofenac with Flexible Conformation: Crystal Structure, Thermostability, Solubility and DFT Calculations
SUN Pan-Pan, LIU Xiang-Yu, SUN Lin, ZHANG Sheng, WEI Qing, YIN Yan, YANG Qi, CHEN San-Ping
The non-steroidal anti-inflammatory drug aceclofenac (ACF) has low bioavailability because of its poor water solubility....
2015, 31 (2): 211-220.
DOI: 10.3866/PKU.WHXB201412231
3552
Abstract/Metrics
Supporting Info
2094
PDF(3306KB)
Terahertz Spectroscopic Analysis of Adenine and Fumaric Acid Cocrystals
FANG Hong-Xia, ZHANG Qi, ZHANG Hui-Li, DU Yong, HONG Zhi
The absorption spectra of adenine, fumaric acid, and their cocrystal were measured using terahertz time-domain spectrosc...
2015, 31 (2): 221-226.
DOI: 10.3866/PKU.WHXB201412232
3637
Abstract/Metrics
1198
PDF(731KB)
Channel of Electronic Interactions in Diferrocenyl Pyrrole Derivatives
HU Yu-Qiang, ZHU Ning, HAN Li-Min
2,5-Diferrocenyl-1-(3-trifluorom-ethylphenyl)-pyrrole (1), 2,5-diferrocenyl-1-(4-fluorophenyl)-pyrrole (2), 2,5-diferroc...
2015, 31 (2): 227-236.
DOI: 10.3866/PKU.WHXB201411061
2837
Abstract/Metrics
Supporting Info
1254
PDF(3041KB)
THEORETICAL AND COMPUTATIONAL CHEMISTRY
Reaction Mechanism and Regioselectivity of Cu(I)-Catalyzed Hydrocarboxylation of 1-Phenyl-propyne with Carbon Dioxide
ZHAO Yi, LIU Yong-Jun, ZHUO Shu-Ping
Density functional theory (DFT) calculations have been used to conduct a detailed study of the mechanism involved the co...
2015, 31 (2): 237-244.
DOI: 10.3866/PKU.WHXB201411242
3212
Abstract/Metrics
1230
PDF(1067KB)
Second-Order Nonlinear Optical Properties of Bis-Cyclometalated Iridium(Ⅲ) Isocyanide Complexes
ZHU Chang-Li, WANG Wen-Yong, TIAN Dong-Mei, WANG Jiao, QIU Yong-Qing
The second-order nonlinear optical (NLO) properties of bis-cyclometalated iridium(Ⅲ) isocyanide complexes were investiga...
2015, 31 (2): 245-252.
DOI: 10.3866/PKU.WHXB201412181
3524
Abstract/Metrics
955
PDF(983KB)
First-Principles Study into the Effect of Substitutional Al Alloying on the Mechanical Properties and Electronic Structure of D8
8
-Ti
5
Si
3
HUANG Hao-Jie, XU Jiang
The influence of the substitution of Al for Si on the structural stability and mechanical properties of D88-Ti5Si3 was d...
2015, 31 (2): 253-260.
DOI: 10.3866/PKU.WHXB201412242
3219
Abstract/Metrics
1470
PDF(1372KB)
Molecular Dynamics Simulation of the Separation of CH
4
/CO
2
by Nanoporous Graphene
WEN Bo-Yao, SUN Cheng-Zhen, BAI Bo-Feng
The processes involved in the separation of gaseous CH4/CO2 mixtures using a nanoporous graphene membrane were simulated...
2015, 31 (2): 261-267.
DOI: 10.3866/PKU.WHXB201411271
3833
Abstract/Metrics
2037
PDF(1141KB)
ELECTROCHEMISTRY AND NEW ENERGY
Synthesis of Uniform Nickel Oxide Nanoparticles Embedded in Porous Hard Carbon Spheres and Their Application in High Performance Li-Ion Battery Anode Materials
ZHANG Yuan-Hang, WANG Zhi-Yuan, SHI Chun-Sheng, LIU En-Zuo, HE Chun-Nian, ZHAO Nai-Qin
Uniform nickel oxide nanoparticles (~10 nm) embedded in porous hard carbon (HC) spheres (90- 130 nm) for high performanc...
2015, 31 (2): 268-276.
DOI: 10.3866/PKU.WHXB201411261
3614
Abstract/Metrics
1685
PDF(1509KB)
Electrochemical Behavior and Reasons for the Decrease in Capacity of the Li
3
V
2
(PO
4
)
3
/C Cathode Material in Different Voltage Ranges
TANG Yan, ZHONG Yan-Jun, OU Qing-Zhu, LIU Heng, ZHONG Ben-He, GUO Xiao-Dong, WANG Xin-Long
Li3V2(PO4)3/C cathode material was synthesized by the sol-gel method. The electrochemical properties of the sample in di...
2015, 31 (2): 277-284.
DOI: 10.3866/PKU.WHXB201412172
3253
Abstract/Metrics
1326
PDF(706KB)
Synthesis of CH
3
NH
3
Sr
x
Pb
(1-
x
)
I
3
with Less Pb Content and Its Application in All-Solid Thin Film Solar Cells
BAI Xiao-Gong, SHI Yan-Tao, WANG Kai, DONG Qing-Shun, XING Yu-Jin, ZHANG Hong, WANG Liang, MA Ting-Li
Hybrid organic-inorganic lead halide perovskite solar cells (PSCs) have recently undergone rapid progress and exhibit hi...
2015, 31 (2): 285-290.
DOI: 10.3866/PKU.WHXB201412241
4211
Abstract/Metrics
2146
PDF(886KB)
Properties of Zr Nanocrystalline Coating on Ti Alloy Bipolar Plates in Simulated PEMFC Environments
QIAN Yang, XU Jiang
A zirconium nanocrystalline coating has been fabricated on a Ti-6A1-4V alloy bipolar plates using a double cathode glow ...
2015, 31 (2): 291-301.
DOI: 10.3866/PKU.WHXB201411262
3594
Abstract/Metrics
1753
PDF(1578KB)
Preparation of Pt/TiO
2
Nanofibers and Their Electrocatalytic Activity towards Methanol Oxidation
CHEN Hong, WANG Shi-Xian, ZHAO Wan-Long, ZHANG Neng-Neng, ZHENG Ying-Ping, SUN Yue-Ming
A Pt/TiO2 nanofiber catalyst has been prepared through the combination of an electrospinning technique with a reductive ...
2015, 31 (2): 302-308.
DOI: 10.3866/PKU.WHXB201412031
3238
Abstract/Metrics
1377
PDF(886KB)
Electrochemical Behavior of Dy(Ⅲ) and the Selective Formation of Dy-Ni Intermetallic Compounds in LiCl-KCl Eutectic Melts
LI Mei, SUN Ting-Ting, LIU Bin, HAN Wei, SUN Yang, ZHANG Mi-Lin
The electrochemical behavior of Dy(Ⅲ) in LiCl-KCl melts and the alloying mechanism of Dy-Ni alloys were investigated by ...
2015, 31 (2): 309-314.
DOI: 10.3866/PKU.WHXB201412182
3293
Abstract/Metrics
1423
PDF(967KB)
Preparation and Supercapacitor Properties of Double-Perovskite La
2
CoNiO
6
Inorganic Nanofibers
WU Yan-Bo, BI Jun, WEI Bin-Bin
A La2CoNiO6 inorganic nanofiber supercapacitor electrode material was successfully prepared from a polyvinylpyrrolidone/...
2015, 31 (2): 315-321.
DOI: 10.3866/PKU.WHXB201412164
3438
Abstract/Metrics
1663
PDF(1028KB)
SOFT MATTER
Effect of Hydrophobic Chain Length on the Interfacial Dilational Rheological Properties of Polyoxyethylene Sorbitan Fatty Acid Ester
LI Ming, CAO Chong, XIONG Ke-Jie, DU Feng-Pei
The dilational rheological properties of a series of polyoxyethylene sorbitan fatty acid surfactants (TweenX) at the dec...
2015, 31 (2): 322-328.
DOI: 10.3866/PKU.WHXB201412012
3203
Abstract/Metrics
Supporting Info
1256
PDF(2309KB)
CATALYSIS AND SURFACE SCIENCE
In situ
Synthesis of Cu-SSZ-13/Cordierite Monolithic Catalyst for the Selective Catalytic Reduction of NO with NH
3
ZHANG Yu, WANG Hong-Ning, CHEN Ruo-Yu
SSZ-13 molecular sieves were synthesized in situ on the surface of a honeycomb-shaped cordierite support using a hydroth...
2015, 31 (2): 329-336.
DOI: 10.3866/PKU.WHXB201412082
3716
Abstract/Metrics
1822
PDF(1138KB)
Catalytic Synthesis of Trimethylolpropane in the Presence of Basic Ionic Liquid
LONG Jin-Xing, YUAN Zheng-Qiu, MA Hao, SHU Ri-Yang, LI Xue-Hui
Ionic liquid (IL) catalyst attracts increasing attention during last few decades due to its excellent advantages of both...
2015, 31 (2): 337-343.
DOI: 10.3866/PKU.WHXB201412101
3406
Abstract/Metrics
1280
PDF(534KB)
Modulation of the Acidity and Catalytic Conversion Properties of Y Zeolites Modified by Cerium Cations
ZHANG Chang, QIN Yu-Cai, GAO Xiong-Hou, ZHANG Hai-Tao, MO Zhou-Sheng, CHU Chun-Yu, ZHANG Xiao-Tong, SONG Li-Juan
Y-type zeolites with different cerium ion content were prepared by liquid phase ion exchange (LPIE) and their structural...
2015, 31 (2): 344-352.
DOI: 10.3866/PKU.WHXB201412163
3348
Abstract/Metrics
1322
PDF(1500KB)
Complete Catalytic Oxidation of Ethanol over MnO
2
with Different Crystal Phase Structures
ZHANG Jie, ZHANG Jiang-Hao, ZHANG Chang-Bin, HE Hong
α-MnO2, β-MnO2, γ-MnO2, and δ-MnO2 catalysts were synthesized by hydrothermal methods, and their ...
2015, 31 (2): 353-359.
DOI: 10.3866/PKU.WHXB201412081
4580
Abstract/Metrics
1682
PDF(911KB)
Preparation of Heat-Resistant, Core/Shell Nanostructured TiO
2
/SiO
2
Composite Aerogels and Their Photocatalytic Properties
ZU Guo-Qing, SHEN Jun, WANG Wen-Qin, ZOU Li-Ping, XU Wei-Wei, ZHANG Zhi-Hua
Core/shell nanostructured monolithic TiO2/SiO2 composite aerogels were prepared by the anilineacetone in situ water form...
2015, 31 (2): 360-368.
DOI: 10.3866/PKU.WHXB201412243
3097
Abstract/Metrics
1534
PDF(1109KB)
Adsorption Activities of O, OH, F and Au on Two-Dimensional Ti
2
C and Ti
3
C
2
Surfaces
YANG Jian-Hui, ZHANG Shao-Zheng, JI Jia-Lin, WEI Shi-Hao
Two-dimensional Ti2C and Ti3C2 structures are highly stable and have high specific surface areas, and therefore represen...
2015, 31 (2): 369-376.
DOI: 10.3866/PKU.WHXB201412121
3566
Abstract/Metrics
2830
PDF(1440KB)
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
Effect of Graphene Oxide Doped PEDOT:PSS as a Hole Injection Layer on the Luminescence Performance of Organic Light-Emitting Diodes
YANG Jun-Li, WU Cong-Ling, LI Yuan-Hao, LI Wan-Li, MIAO Yan-Qin, GUO Kun-Peng, LIU Hui-Hui, WANG Hua, WU Yong-An
We prepared organic light-emitting diodes (OLED) using graphene oxide (GO) doped poly(3,4- ethylenedioxythiophene):poly(...
2015, 31 (2): 377-383.
DOI: 10.3866/PKU.WHXB201412171
4280
Abstract/Metrics
2027
PDF(943KB)
BIOPHYSICAL CHEMISTRY
Conformational Change Characteristics in the Intrinsically Disordered FlgM Protein from a Hyperthermophile at Two Different Temperatures
ZHU Yu-Feng, CAO Zan-Xia, ZHAO Li-Ling, WANG Ji-Hua
The aim of this work was to compare the structural characteristics of the FlgM protein from the thermophile aquifex aeol...
2015, 31 (2): 384-392.
DOI: 10.3866/PKU.WHXB201412161
3045
Abstract/Metrics
1677
PDF(2363KB)