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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
Date of publication: 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.
779
Abstract/Metrics
886
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
1756
Abstract/Metrics
1208
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
2085
Abstract/Metrics
1486
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
1240
Abstract/Metrics
871
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
1365
Abstract/Metrics
893
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
1290
Abstract/Metrics
864
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
1863
Abstract/Metrics
Supporting Info
1065
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
1495
Abstract/Metrics
Supporting Info
1120
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
1759
Abstract/Metrics
Supporting Info
1098
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
1894
Abstract/Metrics
1056
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
2162
Abstract/Metrics
1012
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
1605
Abstract/Metrics
Supporting Info
967
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
1621
Abstract/Metrics
732
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
2038
Abstract/Metrics
1250
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
2019
Abstract/Metrics
1326
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
1438
Abstract/Metrics
1008
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
1565
Abstract/Metrics
1090
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
1267
Abstract/Metrics
886
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
1387
Abstract/Metrics
816
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
2141
Abstract/Metrics
1354
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
1566
Abstract/Metrics
1285
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
1572
Abstract/Metrics
1172
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
1688
Abstract/Metrics
Supporting Info
1326
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
1921
Abstract/Metrics
1353
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
1513
Abstract/Metrics
1048
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
1359
Abstract/Metrics
1084
PDF(1124KB)