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Acta Phys. -Chim. Sin.
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中文
Current Issue
2015 Vol. 31,No. 9
Published: 06 September 2015
Current column
Table of Contents
REVIEW
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
THEORETICALAND COMPUTATIONAL CHEMISTRY
ELECTROCHEMISTRY AND NEW ENERGY
SOFT MATTER
CATALYSIS AND SURFACE SCIENCE
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
BIOPHYSICAL CHEMISTRY
PHYSICAL CHEMISTRY OF MATERIALS
Table of Contents
Cover and Table of Contents for Vol.31 No. 9
2015, 31 (9): 0.
1187
Abstract/Metrics
1372
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REVIEW
Recent Progress in the Removal of Volatile Organic Compounds by Mesoporous Silica Materials and Supported Catalysts
Xiao-Dong. ZHANG,Yin. WANG,Yi-Qiong. YANG,Dan. CHEN
Mesoporous silica materials have attracted much attention because of their large surface area, uniform pore-size distrib...
2015, 31 (9): 1633-1646.
DOI: 10.3866/PKU.WHXB201507281
4629
Abstract/Metrics
447
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3333
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THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
Experimental and Density Functional Theoretical Studies on the Spectra of
N
,
N'
-di[3-hydroxy-4-(2-benzothiazole)phenyl]urea
Ying-Na. CUI,Jing-Mei. YIN,Ying-Ping. JIA,Shen-Min. LI
The experimental infrared (IR), nuclear magnetic resonance (NMR), and ultraviolet (UV) spectra, and density functional t...
2015, 31 (9): 1647-1654.
DOI: 10.3866/PKU.WHXB201506182
3170
Abstract/Metrics
19
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Supporting Info
1624
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Dynamics of Excited
o
-Dichlorobenzene
Xiao-Ying. LI,Li. WANG,Yan-Qiu. WANG,Zhe. SONG,Ben-Kang. LIU
The dynamics of the first excited singlet electronic state (S1) of o-dichlorobenzene was investigated in real time by th...
2015, 31 (9): 1655-1661.
DOI: 10.3866/PKU.WHXB201506291
2803
Abstract/Metrics
16
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1323
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Ultrafast Dynamics of Benzene on the
S
2
State Investigated by Femtosecond Time-Resolved Photoelectron Spectroscopy
Huan. SHEN,Bing. ZHANG
The ultrafast dynamics of benzene on the S2 state have been investigated by femtosecond time-resolved mass spectroscopy ...
2015, 31 (9): 1662-1666.
DOI: 10.3866/PKU.WHXB201507061
2512
Abstract/Metrics
18
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842
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THEORETICALAND COMPUTATIONAL CHEMISTRY
Theoretical Study of the Phosphorescence Spectrum of Tris(2-phenylpyridine)iridium Using the Displaced Harmonic Oscillator Model
Xiao-Feng. WANG,Guo-Fang. ZUO,Zhi-Feng. LI,Hui-Xue. LI
We present a comprehensive investigation of the phosphorescence spectrum of Ir(ppy)3 (ppy = 2-phenylpyridine), which is ...
2015, 31 (9): 1667-1676.
DOI: 10.3866/PKU.WHXB201507092
2930
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18
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1361
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First-Principles Study of Effect of Strain on the Band Structure of ZnO Monolayer
Zhi-Gang. WANG,Xiang-Ming. ZENG,Yang. ZHANG,Rao. HUANG,Yu-Hua. WEN
The effect of strain on the band structure of the ZnO monolayer has been investigated by firstprinciples calculations ba...
2015, 31 (9): 1677-1682.
DOI: 10.3866/PKU.WHXB201506301
3707
Abstract/Metrics
26
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1687
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Theoretical Study on the Structures and Magnetic Properties of Metal String Complexes [Ni
3
(L)
4
(NCS)
2
] (L = dpa
-
, mpta
-
, mdpa
-
, mppa
-
)
Rong. CHEN,Wo-Hua. ZHOU,Zi-Wen. WU,Xuan. XU,Zhi-Guang. XU
Density functional theory at the BP86 level and natural bond orbital theory were used to investigate the influence of br...
2015, 31 (9): 1683-1689.
DOI: 10.3866/PKU.WHXB201506031
2549
Abstract/Metrics
15
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1378
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Quantum Chemistry Calculations of Ion Cluster Models of EMIM Ionic Liquids
Wei. LI,Jing. ZHANG,Chuan-Song. QI
Different types of 1-ethyl-3-methylimidazolium (EMIM) ionic liquid compounds, including halides, tetrafluoroborate, trib...
2015, 31 (9): 1690-1698.
DOI: 10.3866/PKU.WHXB201507071
3363
Abstract/Metrics
30
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1488
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Mechanism and Regioselectivity of Addition Reactions of CH
3
OH to Germasilenes
Xiao-Lan. ZENG,Yan. WANG
Density functional theory (DFT) calculations of the reaction mechanisms and potential energy surfaces for the addition r...
2015, 31 (9): 1699-1707.
DOI: 10.3866/PKU.WHXB201507202
2779
Abstract/Metrics
12
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Supporting Info
1148
PDF(6233KB)
ELECTROCHEMISTRY AND NEW ENERGY
Electrochemical Nucleation of Au on
n
-Type Semiconductor Silicon Electrode Surface
Xiao-Ying. WU,Li-Kun. YANG,Hui. YAN,Fang-Zu. YANG,Zhong-Qun. TIAN,Shao-Min. ZHOU
Cyclic voltammetry and chronoamperometry have been used to investigate the mechanism of gold electrodeposition on the n-...
2015, 31 (9): 1708-1714.
DOI: 10.3866/PKU.WHXB201507101
3116
Abstract/Metrics
13
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2248
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Performance of Nitrogen-Doped Carbon Nanocomposite with Entrapped Enzyme-Based Fuel Cell
HAYIERBIEK Kulisong,Shu-Xian ZHAO,Yang YANG,Han ZENG
A nanocomposite composed of N-doped mesoporous carbon material (NDMPC) and carboxymethylated chitosan (CMCH) was fabrica...
2015, 31 (9): 1715-1726.
DOI: 10.3866/PKU.WHXB201506231
3318
Abstract/Metrics
9
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Supporting Info
1688
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Synthesis of PDDA-Decorating MWCNTs Supported Pt Electrocatalysts and Catalytic Properties for Oxygen Reduction Reaction in Alkaline Medium
Jie. ZHANG,Mei-Ling. DOU,Feng. WANG,Jing-Jun. LIU,Zhi-Lin. LI,Jing. JI,Ye. SONG
Multi-walled carbon nanotubes (MWCNTs) were modified with the long-chain polymer poly (diallyldimethylammonium chloride)...
2015, 31 (9): 1727-1732.
DOI: 10.3866/PKU.WHXB201507161
4055
Abstract/Metrics
26
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SOFT MATTER
Orientational Transitions of Liquid Crystal Driven by Hydrogen-Bond Interaction at the Liquid Crystal-Aqueous Interface
Zhi-Jian. LIAO,Zhen-Li. QIN,Si-Nan. DU,Si-Yu. LI,Guan-Hou. CHEN,Fang. ZUO,Jian-Bin. LUO
In this paper, an orientational anchoring transition of the thermotropic nematic liquid crystal (LC) (4-cyano-4'-pentylb...
2015, 31 (9): 1733-1740.
DOI: 10.3866/PKU.WHXB201508101
3127
Abstract/Metrics
23
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1300
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CATALYSIS AND SURFACE SCIENCE
Formation Mechanism of the H-terminated Diamond Surface
Jin-Long. LIU,Sheng. LIU,Jian-Chao. GUO,Chen-Yi. HUA,Liang-Xian. CHEN,Jun-Jun. WEI,Li-Fu. HEI,Jing-Jing. WANG,Zhi-Hong. FENG,Qing. LIU,Cheng-Ming. LI
Microwave hydrogen plasma was used to introduce hydrogen termination on the diamond surface. Optical emission spectrosco...
2015, 31 (9): 1741-1746.
DOI: 10.3866/PKU.WHXB201508031
3604
Abstract/Metrics
16
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1615
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Effect of the Carbon Precursor on the Design of Perfluorosulfonic Acid Functionalized Carbon Catalysts
Cui-Can. LI,Meng-Xiao. ZHANG,Wei-Ming. HUA,Ying-Hong. YUE,Zi. GAO
Perfluorosulfonic acid functionalized carbon-based solid acid catalysts were prepared by liquid deposition of perfluoros...
2015, 31 (9): 1747-1752.
DOI: 10.3866/PKU.WHXB201506012
2703
Abstract/Metrics
12
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1218
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Performance of CO Oxidation over Highly Dispersed Gold Catalyst on TiO
x
/SiO
2
Composite Supports
Xiao-Kun. LI,Dong-Dong. MA,Yan-Ping. ZHENG,Hong. ZHANG,Ding. DING,Ming-Shu. CHEN,Hui-Lin. WAN
Supports have a significant effect on the dispersion and stability of Au nanoparticles because of the support-metal inte...
2015, 31 (9): 1753-1760.
DOI: 10.3866/PKU.WHXB201507091
3141
Abstract/Metrics
23
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1604
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Effect of Cu Loading on the Structure and Catalytic Performance of the LNT Catalyst CuO-K
2
CO
3
/TiO
2
Feng-Qi. FAN,Ming. MENG,Ye. TIAN,Li-Rong. ZHENG,Jing. ZHANG,Tian-Dou. HU
A series of non-platinic lean NOx trap (LNT) CuO-K2CO3/TiO2 catalysts with different Cu loadings were prepared by sequen...
2015, 31 (9): 1761-1770.
DOI: 10.3866/PKU.WHXB201507291
3500
Abstract/Metrics
16
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1047
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Effects of Zr Addition on the Performance of the Pd-Pt/Al
2
O
3
Catalyst for Lean-Burn Natural Gas Vehicle Exhaust Purification
Wei. HU,Yun. WANG,Hong-Yan. SHANG,Hai-Di. XU,Lin. ZHONG,Jian-Jun. CHEN,Mao-Chu. GONG,Yao-Qiang. CHEN
The catalytic activity, hydrothermal aging resistance, and sulfur tolerance of a Pd-Pt-based methane oxidation catalyst ...
2015, 31 (9): 1771-1779.
DOI: 10.3866/PKU.WHXB201507141
2863
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15
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1444
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PHOTOCHEMISTRY AND RADIATION CHEMISTRY
MgF
2
Modified Alq
3
Nanocomposite: Synthesis and Improvement of Anti-Aging Performance of OLED
Wan-Li. LI,Xiao-Yun. LIU,Yan-Qin. MIAO,Jun-Li. YANG,Cong-Ling. WU,Yuan-Hao. LI,Kun-Peng. GUO,Hua. WANG,Bing-She. XU
From the viewpoint of practical application, enhancing the stability and lifetime of organic lightemitting diodes (OLED)...
2015, 31 (9): 1780-1786.
DOI: 10.3866/PKU.WHXB201507151
3217
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12
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1611
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Fluorescence Quenching of Eosin Y by Tyrosine
Jing-Dong. WANG,Shuang. LI,Rong. LÜ,An-Chi. YU
Quenching of a fluorescent probe by amino acid residues can provide valuable information about the structural and confor...
2015, 31 (9): 1787-1794.
DOI: 10.3866/PKU.WHXB201507241
3318
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11
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1447
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BIOPHYSICAL CHEMISTRY
Predicting and Virtually Screening Breast Cancer Targeting Protein HEC1 Inhibitors by Molecular Descriptors and Machine Learning Methods
Bing. HE,Yong. LUO,Bing-Ke. LI,Ying. XUE,Luo-Ting. YU,Xiao-Long. QIU,Teng-Kuei. YANG
Highly expressed in cancer 1 (HEC1) is a conserved mitotic regulator that is critical for spindle checkpoint control, ki...
2015, 31 (9): 1795-1802.
DOI: 10.3866/PKU.WHXB201507301
4376
Abstract/Metrics
39
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Supporting Info
1846
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F
1
-ATPase Stabilizes and Positions Adenosine Triphosphate Revealed by Molecular Dynamics Simulations
Shao-Gui. WU,Xiao-Tong. GAO,Quan. LI,Jie. LIAO,Cheng-Gang. XU
F1-ATPase makes extensive interactions with ATP through forming a network of interactions around ATP. These interactions...
2015, 31 (9): 1803-1809.
DOI: 10.3866/PKU.WHXB201508062
2803
Abstract/Metrics
11
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1233
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PHYSICAL CHEMISTRY OF MATERIALS
Simulation of the Immobilization of Pu in the Gd
2
Zr
2
O
7
Matrix by Investigating the Thermophysical Properties of (Gd
1-
x
Ce
x
)
2
Zr
2
O
7+
x
Xiang-Lai. XIA,Lin-Yan. LI,Fang. GUO,Wei. SU,Yan. LIU,Xiao-Mou. CHEN,She-Qi. PAN
Polycrystalline samples of (Gd1-xCex)2Zr2O7+x (0 ≤ x ≤ 0.7) were synthesized by solid-state reaction using NaF as a flux...
2015, 31 (9): 1810-1814.
DOI: 10.3866/PKU.WHXB201507203
3116
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10
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Fast Adsorption Removal of Congo Red on Hierarchically Porous γ-Al
2
O
3
Hollow Microspheres Prepared by Microwave-Assisted Hydrothermal Method
Long-Hui. NIE,Qiao. TAN,Wei. ZHU,Qi. WEI,Zhi-Kui. LIN
Hierarchical nanostructured γ-Al2O3 hollow microspheres were synthesized from KAl(SO4)2 and urea precursors by the micro...
2015, 31 (9): 1815-1822.
DOI: 10.3866/PKU.WHXB201507201
2736
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15
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1328
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