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Acta Phys. -Chim. Sin.
Acta Phys. -Chim. Sin.
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中文
Current Issue
2015 Vol. 31,No. 5
Published: 08 May 2015
Current column
Table of Contents
REVIEW
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
THEORETICAL AND COMPUTATIONAL CHEMISTRY
ELECTROCHEMISTRY AND NEW ENERGY
CATALYSIS AND SURFACE SCIENCE
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
PHYSICAL CHEMISTRY OF MATERIALS
Table of Contents
Cover and Table of Contents for Vol.31 No. 5
2015, 31 (5): 0.
1026
Abstract/Metrics
969
PDF(7141KB)
REVIEW
Development of Cd-Based Compound Nanocrystal-Organic Polymer Hybrid Solar Cells
KOU Yan-Lei, QU Sheng-Chun, LIU Kong, CHI Dan, LU Shu-Di, LI Yan-Pei, YUE Shi-Zhong
Organic-inorganic hybrid solar cells, which combine the advantages of conjugated polymers and inorganic nanocrystals, ha...
2015, 31 (5): 807-816.
DOI: 10.3866/PKU.WHXB201503242
3215
Abstract/Metrics
1453
PDF(1015KB)
Research Progress of Ceria-Based Catalysts in the Selective Catalytic Reduction of NO
x
by NH
3
YAO Xiao-Jiang, GONG Ying-Tao, LI Hong-Li, YANG Fu-Mo
Nitrogen oxides (NOx), which are emitted from stationary sources (such as coal-fired power plant flue gases) and mobile ...
2015, 31 (5): 817-828.
DOI: 10.3866/PKU.WHXB201503253
3418
Abstract/Metrics
1852
PDF(1086KB)
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
Excitation Spectra and Photodissociation Dynamics of the
B
2
П
State of the N
2
O
+
Ion
SUN Zhong-Fa, GAO Zhi, WU Xiang-Kun, TANG Guo-Qiang, ZHOU Xiao-Guo, LIU Shi-Lin
N2O+ ions in the X2П(0,0,0) ground state were prepared by (3+1) resonance-enhanced multiphoton ionization (REMPI) of jet...
2015, 31 (5): 829-835.
DOI: 10.3866/PKU.WHXB201503041
2309
Abstract/Metrics
1091
PDF(763KB)
Shock Tube Ignition Delay Measurements of Decalin/Air Mixtures at High Temperatures
HE Jiu-Ning, LI You-Liang, ZHANG Chang-Hua, LI Ping, LI Xiang-Yuan
Ignition delay measurements of gas-phase decalin/air mixtures were performed in a shock tube at temperatures of 950-1395...
2015, 31 (5): 836-842.
DOI: 10.3866/PKU.WHXB201503121
2586
Abstract/Metrics
1047
PDF(973KB)
Extraction Mechanism and Selectivity of UO
2
(NO
3
)
2
in Tributylphosphine Oxide-Ionic Liquid System
LIU Hai-Wang, SHEN Xing-Hai, CHEN Qing-De
The extraction of UO2(NO3)2 from aqueous solution was investigated using trioctylphosphine oxide (TOPO) and tributylphos...
2015, 31 (5): 843-851.
DOI: 10.3866/PKU.WHXB201503202
2177
Abstract/Metrics
1010
PDF(977KB)
THEORETICAL AND COMPUTATIONAL CHEMISTRY
Reaction Mechanism for the Iron-Catalyzed Biaryl Cross-Coupling of Aryl Grignard Reagents
REN Qing-Hua, SHEN Xiao-Yan
Mechanisms for the [Fe(MgBr)2] catalyzed cross-coupling reaction between ortho-chlorostyrene and phenylmagnesium bromide...
2015, 31 (5): 852-858.
DOI: 10.3866/PKU.WHXB201503026
3320
Abstract/Metrics
Supporting Info
1203
PDF(1322KB)
Calculation of Rate Constants for Intramolecular Hydrogen Migration Reactions of Alkylperoxy Radicals
LI Shang-Jun, TAN Ning-Xin, YAO Qian, LI Ze-Rong, LI Xiang-Yuan
Intramolecular hydrogen migration in alkylperoxy reactions is one of the most important reaction classes in hydrocarbon ...
2015, 31 (5): 859-865.
DOI: 10.3866/PKU.WHXB201503131
3147
Abstract/Metrics
Supporting Info
1569
PDF(2631KB)
Theoretical Study of Hemicyanine Dye as a Dye-Sensitized Solar Cell Light-Absorbing Material
LI Hui-Xue, ZUO Guo-Fang, LI Zhi-Feng, WANG Xiao-Feng, ZHENG Ren-Hui
We used first-principles calculations to investigate the photo-induced electron transfer (PIET) process of the hemicyani...
2015, 31 (5): 866-876.
DOI: 10.3866/PKU.WHXB201503254
3079
Abstract/Metrics
Supporting Info
1265
PDF(1511KB)
Theoretical Study of Adsorption of Chlorinated Phenol Pollutants on Co-Doped Boron Nitride Nanotubes
WANG Ruo-Xi, ZHANG Dong-Ju, LIU Cheng-Bu
Chlorinated phenols (CPs) are the main precursors for forming the persistent organic pollutants dioxins and have strong ...
2015, 31 (5): 877-884.
DOI: 10.3866/PKU.WHXB201503161
3312
Abstract/Metrics
1215
PDF(1250KB)
Adsorption of Cinnamaldehyde on Icosahedral Au
13
and Pt
13
Clusters
XIAO Xue-Chun, SHI Wei, NI Zhe-Ming, ZHANG Lian-Yang, XU Jin-Fang
The adsorption behavior of cinnamaldehyde on icosahedral Au13 and Pt13 clusters was investigated by density functional t...
2015, 31 (5): 885-892.
DOI: 10.3866/PKU.WHXB201503181
3642
Abstract/Metrics
1203
PDF(959KB)
Norm Index-Based Quantitative Structure-Activity Relationship to Predict
β
-Cyclodextrin Complex Binding Constants
QIAN Hai-Cheng, KANWAL Shahid, JIA Qing-Zhu, WANG Qiang, JI Hui-Fen, ZHU Zhi-Chen, XIA Shu-Qian, MA Pei-Sheng
Cyclodextrins (CDs) are widely used in the pharmaceutical industry, and the complex stability constant (logK) is an impo...
2015, 31 (5): 893-898.
DOI: 10.3866/PKU.WHXB201503193
3025
Abstract/Metrics
Supporting Info
1115
PDF(2116KB)
Stability of Doped C
50
and C
70
Based on Curvature and Electronic Structures
BAO Jin-Xiao, WANG Xiao-Xia, WU Tong-Wei, JIA Gui-Xiao, ZHANG Yong-Fan
The doping energies and electronic structures of B, N, Si, P, and Co in C50 and C70 were investigated using the density ...
2015, 31 (5): 899-904.
DOI: 10.3866/PKU.WHXB201503201
3014
Abstract/Metrics
916
PDF(763KB)
ELECTROCHEMISTRY AND NEW ENERGY
Preparation and Electrochemical Performance of Li[Ni
1/3
Co
1/3
Mn
1/3
]O
2
Cathode Material for High-Rate Lithium-Ion Batteries
ZHANG Ji-Bin, HUAWei-Bo, ZHENG Zhuo, LIU Wen-Yuan, GUO Xiao-Dong, ZHONG Ben-He
A spherical Li[Ni1/3Co1/3Mn1/3]O2 cathode material for lithium-ion batteries was synthesized using a combination of modi...
2015, 31 (5): 905-912.
DOI: 10.3866/PKU.WHXB201503091
3346
Abstract/Metrics
1511
PDF(1280KB)
Electrochemical Performances of Reduced Graphene Oxide/Titanium Dioxide Composites for Sodium-Ion Batteries
XU Jing, YANG De-Zhi, LIAO Xiao-Zhen, HE Yu-Shi, MA Zi-Feng
Anatase TiO2 shows excellent long-term cycling stability as an anode for sodium-ion batteries. However, the low specific...
2015, 31 (5): 913-919.
DOI: 10.3866/PKU.WHXB201503162
3147
Abstract/Metrics
1596
PDF(1371KB)
Electrochemical Behavior and Extraction Efficiency Evaluation of Gd in Chloride Molten Salt System
YANG Xiao-Nan, YAN Yong-De, ZHANG Mi-Lin, LI Xing, XUE Yun, HAN Wei
The electrochemical behavior and thermodynamic properties of GdCl3 in LiCl-KCl molten salt system on both Mo and Al elec...
2015, 31 (5): 920-926.
DOI: 10.3866/PKU.WHXB201503251
3024
Abstract/Metrics
1208
PDF(719KB)
Dual-Sacrificial Template Synthesis of One-Dimensional Tubular Pt-Mn
3
O
4
-C Composite with Excellent Electrocatalytic Performance for Methanol Oxidation
LI Li, HE Xiao-Li, QIN Tao, DAI Fu-Tao, ZHANG Xiao-Hua, CHEN Jin-Hua
A new Pt-based electrocatalyst with one-dimensional tubular Mn3O4-C as the catalyst support was synthesized by a dual-sa...
2015, 31 (5): 927-932.
DOI: 10.3866/PKU.WHXB201503241
2828
Abstract/Metrics
1232
PDF(820KB)
CATALYSIS AND SURFACE SCIENCE
Influence of Tungsten Loadings on the 1-Butene Metathesis Reaction over W/SiO
2
/Al
2
O
3
Catalysts
LIU Na, ZHANG Hui, XUE Nian-Hua, DING Wei-Ping
A series of W/SiO2/Al2O3 catalysts with various tungsten loadings were synthesized via the impregnation method. The as-s...
2015, 31 (5): 933-940.
DOI: 10.3866/PKU.WHXB201503032
2509
Abstract/Metrics
1054
PDF(1143KB)
Influence of Oxidation State of Nickel Supported on TiO
2
on Gas-Phase Hydrogenation of Acetonitrile
XIA Long-Fei, JIANG Zhi, SHANGGUAN Wen-Feng, GU Shun-Chao, HIRANO Shinichi
Nickel catalysts supported on TiO2 were prepared using an impregnation method. Changes in the reduction temperature from...
2015, 31 (5): 941-947.
DOI: 10.3866/PKU.WHXB201503051
2421
Abstract/Metrics
883
PDF(934KB)
In-situ
Co-Precipitation of Ni-Mg-Al-LDH Catalytic Precursor on γ-Al
2
O
3
for Dry Reforming of Methane: Synthesis and Evaluation
ZHANG Xiao-Qing, XU Yan YAN, YANG Chun-Hui, ZHANG Yan-Ping, YIN Yong-Xiang, SHANG Shu-Yong
A series of novel catalysts derived from Ni-Mg-Al-LDHs (LDHs: layered double hydroxides) were synthesized in-situ on &ga...
2015, 31 (5): 948-954.
DOI: 10.3866/PKU.WHXB201503111
3724
Abstract/Metrics
1510
PDF(1292KB)
Synthesis of Ta/Al-Fe
2
O
3
Film Electrode and Its Photoelectrocatalytic Performance in Methylene Blue Degradation
JIN Huan, WANG Juan, JI Yun, CHEN Mei-Mei, ZHANG Yi, WANG Qi, CONG Yan-Qing
A novel visible-light-responsive photoanode (Ta/Al-Fe2O3) was fabricated by co-doping Ta and Al into iron oxide. The pro...
2015, 31 (5): 955-964.
DOI: 10.3866/PKU.WHXB201503112
2950
Abstract/Metrics
1603
PDF(1329KB)
Regulation of Pore Structure and Acidity of a ZSM-5 Catalyst for Dehydration of Glycerol to Acrolein
PAN Wen-Ya, HUANG Liang, QIN Feng, ZHUANG Yan, LI Xue-Mei, MA Jian-Xue, SHEN Wei, XU Hua-Long
Pore structure and acidity of ZSM-5 catalysts were successfully regulated by alkali treatment. ZSM- 5 was etched in 0.2 ...
2015, 31 (5): 965-972.
DOI: 10.3866/PKU.WHXB201503024
2946
Abstract/Metrics
1401
PDF(895KB)
Conversion of Cellulose to Butyl Levulinate in Bio-Butanol Medium Catalyzed by Acidic Ionic Liquids
MA Hao, LONG Jin-Xing, WANG Fu-Rong, WANG Le-Fu, LI Xue-Hui
Butyl levulinate (BL) is one of the most important biochemicals derived from cellulose, and it is of particular interest...
2015, 31 (5): 973-979.
DOI: 10.3866/PKU.WHXB201503171
2843
Abstract/Metrics
Supporting Info
1530
PDF(1201KB)
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
Quantitative Measurements of Soot Volume Fractions in Diesel Engine Using Laser-Induced Incandescence Method
TANG Qing-Long, ZHANG Peng, LIU Hai-Feng, YAO Ming-Fa
Laser-induced incandescence (LII) is an optical diagnostic method used to measure the soot volume fraction in a flame. I...
2015, 31 (5): 980-988.
DOI: 10.3866/PKU.WHXB201503101
3417
Abstract/Metrics
1645
PDF(1401KB)
PHYSICAL CHEMISTRY OF MATERIALS
Synthesis and Properties of Naphthalimide Fluorescent Dye and Covalent Fluorescent Polyurethane Emulsion
JIN Qing-Jun, XU Min, HUANG Xin-Yi, LI Bo-Tian, WANG Ji-Shuai, KAN Cheng-You
The reactive fluorescent dye 4- methoxy-N-(2- hydroxy- 1- hydroxymethylethyl) naphthalimide (MHHNA) was first synthesize...
2015, 31 (5): 989-997.
DOI: 10.3866/PKU.WHXB201503252
2771
Abstract/Metrics
1221
PDF(799KB)
Preparation and Electrocatalytic Activity of Tungsten Carbide-Montmorillonite Composite
PAN Jian-Ming, YANG Wei, SUN Hai-Biao, ZHENG Xiang, LI Guo-Hua
The tungsten carbide catalyst is a hot research topic because its catalytic properties are similar to those of platinum....
2015, 31 (5): 998-1006.
DOI: 10.3866/PKU.WHXB201503191
2724
Abstract/Metrics
1238
PDF(1124KB)