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Acta Phys. -Chim. Sin.
Acta Phys. -Chim. Sin.
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中文
Current Issue
2015 Vol. 31,No. 1
Published:25 December 2014
Date of publication: 25 December 2014
Current column
Table of Contents
REVIEW
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
THEORETICAL AND COMPUTATIONAL CHEMISTRY
ELECTROCHEMISTRY AND NEW ENERGY
SOFT MATTER
CATALYSIS AND SURFACE SCIENCE
PHYSICAL CHEMISTRY OF MATERIALS
Table of Contents
Cover and Table of Contents for Vol.31 No. 1
2015, 31 (1): 0.
1097
Abstract/Metrics
1049
PDF(6721KB)
REVIEW
Role of Common Promoters in Rh-Based Catalysts for CO Hydrogenation to C
2
-Oxygenates
CHEN Wei-Miao, DING Yun-Jie, XUE Fei, SONG Xian-Gen
There is great significance to produce C2-oxygenates such as ethanol via syngas fromcoal, natural gas or biomass frompra...
2015, 31 (1): 1-10.
DOI: 10.3866/PKU.WHXB201411054
2162
Abstract/Metrics
1505
PDF(531KB)
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
Volume and Surface Properties of Aqueous [C
5
mim][Pro] at 288.15 to 318.15 K
LI Chi, YANG Hong-Xu, LIU Ru-Jing, YANG Qi, TONG Jing, YANG Jia-Zhen
The density and surface tension of aqueous 1-pentyl-3-methylimidazoliumpropionate ([C5mim][Pro]) of various molarities w...
2015, 31 (1): 11-16.
DOI: 10.3866/PKU.WHXB201411063
1800
Abstract/Metrics
Supporting Info
893
PDF(666KB)
Crystal Structure and Photophysical Properties of an Iridium(Ⅲ) Pyrazine Complex
WEI Chuan-Dong, GE Guo-Ping, LI Chun-Yan, LEI Ke-Wei, LIANG Hong-Ze, YU Gang, LIU Zhi-Wei
An iridium(Ⅲ) complex of (MDPPF)2Ir(acac) (MDPPF=4,4'-difluoro-5-methyl-2,3-diphenylpyrazine, acac=acetylacetone) has be...
2015, 31 (1): 17-22.
DOI: 10.3866/PKU.WHXB201411212
1787
Abstract/Metrics
791
PDF(489KB)
Electronic Structure and Photoionization Dissociation Process of FC(O)SNCO
ZHAO Chun-Hong, TONG Sheng-Rui, GE Mao-Fa, SUN Zheng
(Fluorocarbonyl) sulfenyl isocyanate (FC(O)SNCO) contains ―C(O)S― and ―NCO groups, so has an interesting electronic and ...
2015, 31 (1): 23-31.
DOI: 10.3866/PKU.WHXB201410311
2223
Abstract/Metrics
1159
PDF(835KB)
Fluorescence Spectra of Polycyclic Aromatic Hydrocarbons and Soot Concentration in Partially Premixed Flames of Diesel Surrogate Containing Oxygenated Additives
ZHANG Peng, LIU Hai-Feng, CHEN Bei-Ling, TANG Qing-Long, YAO Ming-Fa
Partially premixed laminar flames were formed using our purpose-built burner. The soot reduction mechanism of blends of ...
2015, 31 (1): 32-40.
DOI: 10.3866/PKU.WHXB201411051
2118
Abstract/Metrics
1290
PDF(896KB)
THEORETICAL AND COMPUTATIONAL CHEMISTRY
Computational Study of Metal-Organic Frameworks for Removing H
2
S from Natural Gas
XU Hong, TONG Min-Man, WU Dong, XIAO Gang, YANG Qing-Yuan, LIU Da-Huan, ZHONG Chong-Li
Natural gas is a highly efficient energy source subject to growing demand. Natural gas contains H2S, which can harmhuman...
2015, 31 (1): 41-50.
DOI: 10.3866/PKU.WHXB201411132
2238
Abstract/Metrics
Supporting Info
1426
PDF(2125KB)
Alternative Formation Mechanismof C
50
Cl
10
Fullerene Chloride Based on Density Functional Theory Calculations
GAN Zuo-Hua, CHEN Shu-Xuan, TAN Kai
#271C50Cl10 is widely postulated to be a direct chlorination product of cage #271C50. We suggest an alternative formatio...
2015, 31 (1): 51-55.
DOI: 10.3866/PKU.WHXB201411172
1304
Abstract/Metrics
769
PDF(991KB)
Reaction Mechanism of Methylation of 4-Methylbiphenyl with Methanol over H-ZSM-5 Zeolite
LI Ling-Ling, JANIK J. Michael, NIE Xiao-Wa, SONG Chun-Shan, GUO Xin-Wen
Themethylation of 4-methylbiphenyl (4-MBP) can yield 4,4'-dimethylbiphenyl (4,4'-DMBP), an important precursor for advan...
2015, 31 (1): 56-66.
DOI: 10.3866/PKU.WHXB201411052
1536
Abstract/Metrics
1051
PDF(2958KB)
Plasmon Excitation in Silicene Quantum Dots
YIN Hai-Feng, XIANG Gong-Zhou, YUE Li, ZHANG Hong
Time-dependent density functional theory has been used to investigate the plasmon excitation processes in silicene quant...
2015, 31 (1): 67-72.
DOI: 10.3866/PKU.WHXB201411211
1558
Abstract/Metrics
1016
PDF(936KB)
Predicting Retention and Separation Factors of Chiral Diarylmethane Derivates by QSPR Models
HU Gui-Xiang, LUO Cheng-Cai, PAN Shan-Fei, JIANG Yong-Jun, ZOU Jian-Wei
Quantitative structure-property relationship (QSPR) studies on retention and separation factors of chiral compounds play...
2015, 31 (1): 73-82.
DOI: 10.3866/PKU.WHXB201410281
1452
Abstract/Metrics
893
PDF(587KB)
Counterion Effects on the Properties of Sulfate Surfactants at the Air/Liquid Interface by Molecular Dynamics Simulation
HU Song-Qing, JI Xian-Jing, FAN Zhong-Yu, ZHANG Tian-Tian, SUN Shuang-Qing
Molecular dynamics (MD) simulations have been carried out to study the micro-interfaces between counterions (Li+, Na+, K...
2015, 31 (1): 83-89.
DOI: 10.3866/PKU.WHXB201411191
1847
Abstract/Metrics
1176
PDF(1714KB)
ELECTROCHEMISTRY AND NEW ENERGY
Preparation and Supercapacitive Performance of Three-Dimensional Reduced Graphene Oxide/Polyaniline Composite
WANG Jian-De, PENG Tong-Jiang, XIAN Hai-Yang, SUN Hong-Juan
Three-dimensional reduced graphene oxide (RGO)/polyaniline (PANI) composite has been prepared in a single step by the ul...
2015, 31 (1): 90-98.
DOI: 10.3866/PKU.WHXB201411202
2318
Abstract/Metrics
1830
PDF(4046KB)
Fabrication of Nickel-Based Composite Film Electrode for Supercapacitors by a New Method of Anodization/GCD
YI Chao, XIONG Xin-Bo, ZOU Zhi-Biao, LI Jun-Jie, HUANG Tuo, LI Bin, MA Jun, ZENG Xie-Rong
Anickel-based composite filmwas fabricated on Ni foil, by two-electrode anodization and galvanostatic charge-discharge (...
2015, 31 (1): 99-104.
DOI: 10.3866/PKU.WHXB201411053
2259
Abstract/Metrics
1334
PDF(1331KB)
Single-Molecule Junction Conductance of Terephthalic Acid Contacting Ag and Cu Electrodes Measured by an Electrochemical Method
HAN Di, HONG Ze-Wen, LI Dong-Fang, ZHENG Ju-Fang, WANG Ya-Hao, ZHOU Xiao-Shun
The single-molecule junction conductance of terephthalic acid binding to Cu andAg electrodes was measured by an electroc...
2015, 31 (1): 105-110.
DOI: 10.3866/PKU.WHXB201410223
1611
Abstract/Metrics
1022
PDF(1373KB)
Effects of Cathode Current Collectors on the Electrochemical Performance of Rechargeable Magnesium Batteries
SU Shuo-Jian, NULI Yan-Na, FEILURE Tuerxun, YANG Jun, WANG Jiu-Lin
The effects of different cathode current collectors (stainless steel, nickel, copper, and titanium) on the electrochemic...
2015, 31 (1): 111-120.
DOI: 10.3866/PKU.WHXB201411173
1821
Abstract/Metrics
1224
PDF(4508KB)
Quasi-Solid-State Dye-Sensitized Solar Cell Fabricated fromIonic Gel Electrolyte with High Gel-to-Solution Transition Temperature
TAO Li, HUO Zhi-Peng, WANG Lu, DAI Song-Yuan
Dye-sensitized solar cells (DSCs) have aroused much interest because of their low cost and comparatively high power conv...
2015, 31 (1): 121-127.
DOI: 10.3866/PKU.WHXB201411032
1581
Abstract/Metrics
Supporting Info
831
PDF(732KB)
SOFT MATTER
Influence of Acetylation on the Microstructure of Alkali Lignin in Tetrahydrofuran
LI Hao, DENG Yong-Hong, QIU Xue-Qing
The effect of acetylation on the microstructure of alkali lignin (AL) in tetrahydrofuran (THF) was studied. The physicoc...
2015, 31 (1): 128-136.
DOI: 10.3866/PKU.WHXB201411062
1859
Abstract/Metrics
1301
PDF(1613KB)
CATALYSIS AND SURFACE SCIENCE
Hydrogenation of Nitrobenzene Catalyzed by Metal-Organic Framework-Supported Ni Nanoparticles
JIANG Jun, LI Gang, KONG Ling-Hao
The metal-organic frameworks (MOFs), MIL-53(Al), MIL-96(Al), and MIL-120(Al) (MIL: Material Institute of Lavorisier) wer...
2015, 31 (1): 137-144.
DOI: 10.3866/PKU.WHXB201411171
2168
Abstract/Metrics
1417
PDF(2068KB)
Preparation of Pd/Co Bimetallic Nanoparticles and Their Catalytic Activity for Hydrogen Generation
ZHAO Wan-Guo, SU Li, ZHOU Zhen-Ning, ZHANG Hai-Jun, LU Li-Lin, ZHANG Shao-Wei
Reported here is a facile route for the synthesis of polyvinyl pyrrolidone (PVP)-stabilized Pd/Co bimetallic nanoparticl...
2015, 31 (1): 145-152.
DOI: 10.3866/PKU.WHXB201410241
1691
Abstract/Metrics
1260
PDF(2616KB)
Preparation of NiS-Modified Cd
1-
x
Zn
x
S by a Hydrothermal Method and Its Use for the Efficient Photocatalytic H
2
Evolution
LIN Cai-Fang, CHEN Xiao-Ping, CHEN Shu, SHANGGUAN Wen-Feng
NiS-modified Cd1-xZnxS has been prepared using a simple hydrothermal method. Notably, the H2 evolution rate of 0.5% (y, ...
2015, 31 (1): 153-158.
DOI: 10.3866/PKU.WHXB201411175
1624
Abstract/Metrics
1184
PDF(1286KB)
Effect of K
+
Doping on the Band Structure and Photocatalytic Performance of Graphitic Carbon Nitride Photocatalysts
ZHANG Jian, WANG Yan-Juan, HU Shao-Zheng
Aseries of band gap-tunable K+ doped graphitic carbon nitride (g-C3N4) photocatalysts have been prepared using potassium...
2015, 31 (1): 159-165.
DOI: 10.3866/PKU.WHXB201411201
2489
Abstract/Metrics
1511
PDF(727KB)
Influence of Cu on the K-LaZrO
2
Catalyst for Isobutanol Synthesis
WU Ying-Quan, WANG Si-Chen, XIE Hong-Juan, GAO Jun-Wen, TIAN Shao-Peng, HAN Yi-Zhuo, TAN Yi-Sheng
The K-LaZrO2 and K-CuLaZrO2 catalysts used for the synthesis of isobutanol fromsyngas have been characterized by X-ray d...
2015, 31 (1): 166-172.
DOI: 10.3866/PKU.WHXB201411241
1282
Abstract/Metrics
1109
PDF(741KB)
Removal of Volatile Organic Compounds at Low Temperature by a Self-Assembled Pt/
γ
-Al
2
O
3
Catalyst
LI Jia-Heng, AO Ping, LI Xiao-Qing, XU Xiang-Sheng, XU Xiao-Xiao, GAO Xiang, YAN Xin-Huan
Pt/γ-Al2O3 catalyst nanoparticles were prepared by self-assembly (AS) and wetness impregnation (WI) methods, and e...
2015, 31 (1): 173-180.
DOI: 10.3866/PKU.WHXB201411131
1638
Abstract/Metrics
958
PDF(1280KB)
One-Step Synthesis of Hierarchical ZSM-5 Zeolite Microspheres Using Alkyl-Polyamines as Single Templates
CHEN Li, XUE Teng, ZHU Shu-Yan, WANG Yi-Meng
Diethylenetriamine (DETA), triethylenetetramine (TETA), and tetraethylenepentamine (TEPA) were used as single templates ...
2015, 31 (1): 181-188.
DOI: 10.3866/PKU.WHXB201411174
1545
Abstract/Metrics
1160
PDF(3128KB)
PHYSICAL CHEMISTRY OF MATERIALS
Epitaxial Growth of Single-Crystalline Barium Carbonate Microcone Arrays on (104) Face of Calcite
WU Wei-Ke, ZHANG Yu-Zhe, LI Bin, MA Yu-Rong
Heteroepitaxial growth of single-crystalline witherite (BaCO3) microcone arrays on the (104) face of calcite (CaCO3) was...
2015, 31 (1): 189-198.
DOI: 10.3866/PKU.WHXB201411031
1701
Abstract/Metrics
1230
PDF(5472KB)