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Acta Phys. -Chim. Sin.
Acta Phys. -Chim. Sin.
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中文
Current Issue
2013 Vol. 29,No. 08
Published: 09 July 2013
Current column
Table of Contents
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
THEORETICAL AND COMPUTATIONAL CHEMISTRY
ELECTROCHEMISTRY AND NEW ENERGY
SOFT MATTER
CATALYSIS AND SURFACE SCIENCE
BIOPHYSICAL CHEMISTRY
PHYSICAL CHEMISTRY OF MATERIALS
Table of Contents
Cover and Table of Contents for Vol.29 No. 8
2013, 29 (08): 0.
1114
Abstract/Metrics
2512
PDF(4164KB)
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
Raman Spectra of Amino Wagging Vibrational Modes in
p-π
-Conjugated Molecules
TAO Sha, YU Li-Juan, WU De-Yin, TIAN Zhong-Qun
Raman spectroscopy has been widely used as a non-destructive testing and molecular recognition technology, providing fin...
2013, 29 (08): 1609-1617.
DOI: 10.3866/PKU.WHXB201306032
3569
Abstract/Metrics
1899
PDF(1025KB)
Effect of the Ratio between Ionic Liquids [BMIM]Br and [BMIM][BF
4
] on the Charge Transfer of Br
-
MA Jing-Yuan, ZOU Yang, JIANG Zheng, HUANG Yu-Ying
We analyzed the change of hydrogen bonding between Br- and imidazolium cations when the ionic liquid 1-butyl-3-methylimi...
2013, 29 (08): 1618-1622.
DOI: 10.3866/PKU.WHXB201305272
4544
Abstract/Metrics
2343
PDF(651KB)
Method to Determine the Kinetic Parameters of the Autocatalytic Decomposition Reaction and Critical Rate of Temperature Rise of Thermal Explosion of Energetic Materials from DSC Curves
HU Rong-Zu, ZHAO Feng-Qi, GAO Hong-Xu, YAO Er-Gang, ZHANG Hai, WANG Yao, Chang Xiang-Yu, ZHAO Hong-An
To evaluate the thermal safety of energetic materials (EMs) using the critical rate of temperature rise of thermal explo...
2013, 29 (08): 1623-1631.
DOI: 10.3866/PKU.WHXB201305282
3693
Abstract/Metrics
1771
PDF(704KB)
Application of Time-Resolved Coherent Anti-Stokes Raman Scattering Technique on the Study of Photocatalytic Hydrogen Production Kinetics
LV Yong-Gang, LI Zhi-Jun, WU Li-Zhu, WANG Peng, FU Li-Min, ZHANG Jian-Ping
Based on the laser pulse output from a femtosecond regenerative amplifier and optical parametric amplifier (OPA), a broa...
2013, 29 (08): 1632-1638.
DOI: 10.3866/PKU.WHXB201304281
3891
Abstract/Metrics
2369
PDF(694KB)
THEORETICAL AND COMPUTATIONAL CHEMISTRY
Quantitative Structure-Activity Relationship Study of the Non-Nucleoside Inhibitors of HCV NS5B Polymerase by Machine Learning Methods
CONG Yong, XUE Ying
The quantitative structure-activity relationship (QSAR) approach was used to predict the activity of two different scaff...
2013, 29 (08): 1639-1647.
DOI: 10.3866/PKU.WHXB201305171
3095
Abstract/Metrics
Supporting Info
1942
PDF(2404KB)
Electronic Structure and Edge Modification of Armchair MoS
2
Nanoribbons
YANG Zhi-Xiong, YANG Jin-Xin, LIU Qi, XIE Yu-Xing, XIONG Xiang, OUYANG Fang-Ping
The geometries and electronic properties of armchair MoS2 nanoribbons were investigated by the first-principles method b...
2013, 29 (08): 1648-1654.
DOI: 10.3866/PKU.WHXB201305211
4097
Abstract/Metrics
3378
PDF(772KB)
Effects of Orthogonal Electric Field on Water Flux through a Carbon Nanotube
GE Zhen-Peng, SHI Yan-Chao, LI Xiao-Yi
Water transport in nanopores is important for many biological processes and the design of nanodevices. It has been demon...
2013, 29 (08): 1655-1660.
DOI: 10.3866/PKU.WHXB201305222
3516
Abstract/Metrics
1499
PDF(815KB)
Predicting Hypothetical Zeolite Frameworks Using Program FraGen
LU Jun-Ran, LI Yi, YU Ji-Hong, LU Ying
Zeolites are microporous materials that have been widely used in various chemical industries. Zeolite structure predicti...
2013, 29 (08): 1661-1665.
DOI: 10.3866/PKU.WHXB201305273
4145
Abstract/Metrics
Supporting Info
1575
PDF(1238KB)
Improvement of Surface Structure and Enhancement of Conductivity of LiFePO
4
Surface by Graphene and Graphene-Like B-C-N Coating
SUN Chao, YAN Liu-Ming, YUE Bao-Hua
Density functional theory calculations are used to investigate the surface structure and electric conductivity of the (0...
2013, 29 (08): 1666-1672.
DOI: 10.3866/PKU.WHXB201304232
4136
Abstract/Metrics
1880
PDF(1439KB)
Spin-Orbit Coupling and Zero-Field Splitting in Dioxygen Activation by Non-Heme Iron(III)
LV Ling-Ling, WANG Xiao-Fang, ZHU Yuan-Cheng, LIU Xin-Wen, YUAN Kun, WANG Yong-Cheng
The mechanism of the O2 activation by the protocatechuate 3,4-dioxygenase was investigated using density functional calc...
2013, 29 (08): 1673-1680.
DOI: 10.3866/PKU.WHXB201306041
3548
Abstract/Metrics
1249
PDF(1200KB)
ELECTROCHEMISTRY AND NEW ENERGY
Hydrothermal Synthesis of Partially Reduced Graphene Oxide-K
2
Mn
4
O
8
Nanocomposites as Supercapacitors
LI Le, HE Yun-Qiu, CHU Xiao-Fei, LI Yi-Ming, SUN Fang-Fang, HUANG He-Zhou
Nanocomposites of partially reduced graphene oxide (GO)-K2Mn4O8 were synthesized via a hydrothermal process at different...
2013, 29 (08): 1681-1690.
DOI: 10.3866/PKU.WHXB201305223
4758
Abstract/Metrics
2559
PDF(1104KB)
Preparation and Electrochemical Capacitance Properties of Graphene Oxide/Polypyrrole Intercalation Composite
SHI Qin, MEN Chun-Yan, LI Juan
Graphene oxide/polypyrrole (GO/PPy) intercalation composite was successfully prepared via in-situ chemical oxidative pol...
2013, 29 (08): 1691-1697.
DOI: 10.3866/PKU.WHXB201306031
3835
Abstract/Metrics
2809
PDF(987KB)
Electrochemistry of MgCl
2
in LiCl-KCl Eutectic Melts
TANG Hao, YAN Yong-De, ZHANG Mi-Lin, XUE Yun, ZHANG Zhi-Jian, DU Wei-Chao, HE Hui
The electrochemical behavior and thermodynamic properties of MgCl2 dissolved in LiCl-KCl eutectic melts in the temperatu...
2013, 29 (08): 1698-1704.
DOI: 10.3866/PKU.WHXB201305102
3300
Abstract/Metrics
1624
PDF(675KB)
Electrochemical Behavior of the System of Uranium(VI) Extraction with CMPO-Ionic Liquid
WU Jing-Ke, SHEN Xing-Hai, CHEN Qing-De
The electrochemical behavior of U(VI) extracted from an aqueous solution of uranyl nitrate by octyl(phenyl)-N,N-diisobut...
2013, 29 (08): 1705-1711.
DOI: 10.3866/PKU.WHXB201306043
3743
Abstract/Metrics
Supporting Info
1814
PDF(1480KB)
Synthesis and Application of Ag-Cu Bimetallic Dendrites
KANG Ya-Rong, CHEN Fu-Yi
We synthesized silver-copper (Ag-Cu) dendritic structures on Cu foil by electrodeposition and subsequent galvanic displa...
2013, 29 (08): 1712-1718.
DOI: 10.3866/PKU.WHXB201305132
3936
Abstract/Metrics
2644
PDF(1179KB)
Preparation and Properties of Direct-Methane Solid Oxide Fuel Cell Based on a Graded Cu-CeO
2
-Ni-YSZ Composite Anode
MENG Xiu-Xia, GONG Xun, YANG Nai-Tao, TAN Xiao-Yao, MA Zi-Feng
A graded anode-supported solid oxide fuel cell (SOFC) with the structure porous Ni-yttria stabilized zirconia (Ni-YSZ)|m...
2013, 29 (08): 1719-1726.
DOI: 10.3866/PKU.WHXB201305151
3074
Abstract/Metrics
1376
PDF(11768KB)
Comparison of Enzymatic Activities and Electroactivities of Adsorbed Glucose Oxidase on Several Nanomaterial-Modified Electrodes
YANG Da-Wei, CHEN Chao, XIE Qing-Ji, YAO Shou-Zhuo
The quartz-crystal microbalance technique was used to monitor the adsorption of glucose oxidase (GOx) on bare Au, Au-ele...
2013, 29 (08): 1727-1734.
DOI: 10.3866/PKU.WHXB201306042
3273
Abstract/Metrics
1868
PDF(1071KB)
Spectrum Response Enhancement of Organic Solar Cell Using a Poly(3-hexylthiophene) Photosensitizing Layer
WU Zhen-Wu, LIU Yang, WEI Shang-Jiang, HUANG Xun, ZHANG Dongyu, ZHOU Ming, CHEN Liwei, MA Chang-Qi, WANG Hua
We report here the photovoltaic performance of a solar cell using poly-{[4,8-bis[(2-ethylhexyl) oxy]-benzo[1,2-b:4,5-b']...
2013, 29 (08): 1735-1744.
DOI: 10.3866/PKU.WHXB201305241
3331
Abstract/Metrics
1948
PDF(1464KB)
Effects of Pt Content on the Catalytic Performance of Co@Pt/C Core-Shell Structured Electrocatalysts
ZHAO Tian-Tian, LIN Rui, ZHANG Lu, CAO Chui-Hui, MA Jian-Xin
Core-shell structured Co@Pt/C electrocatalysts containing different mass fractions of Co to Pt, which are represented as...
2013, 29 (08): 1745-1752.
DOI: 10.3866/PKU.WHXB201305101
3483
Abstract/Metrics
1661
PDF(1081KB)
Electrochemical Behavior of Pyridine-Doped Carbon-Supported Co-Phthalocyanine (Py-CoPc/C) for Oxygen Reduction Reaction and Its Application to Fuel Cell
DAI Xian-Feng, ZHEN Ming-Fu, XU Pan, SHI Jing-Jing, MA Cheng-Yu, QIAO Jin-Li
Pyridine-doped, carbon-supported Co-phthalocyanine (Py-CoPc/C) nanoparticle catalysts were synthesized via a combined so...
2013, 29 (08): 1753-1761.
DOI: 10.3866/PKU.WHXB201306141
3709
Abstract/Metrics
1859
PDF(674KB)
SOFT MATTER
Growth Modes of Condensates on Nanotextured Surfaces and Mechanism of Partially Wetted Droplet Formation
LIU Tian-Qing, SUN Wei, LI Xiang-Qin, SUN Xiang-Yu, AI Hong-Ru
The energy increasing rate (EIR) of a condensed droplet was analyzed during its growth in three different modes. The low...
2013, 29 (08): 1762-1770.
DOI: 10.3866/PKU.WHXB201306033
4337
Abstract/Metrics
1778
PDF(1107KB)
CATALYSIS AND SURFACE SCIENCE
Controllable Synthesis and Photocatalytic Activity of Spherical, Flowerlike and Threadlike Bismuth Vanadates
LIN Xue, YU Li-Li, Yan Li-Na, GUAN Qing-Feng, Yan Yong-Sheng, ZHAO Han
Spherical, flowerlike, and threadlike bismuth vanadates (BiVO4) were synthesized via a controllable hydrothermal method ...
2013, 29 (08): 1771-1777.
DOI: 10.3866/PKU.WHXB201305131
3748
Abstract/Metrics
1753
PDF(868KB)
Highly Active and Stable Catalyst for Visible Light Hydrogen Production Based on Oxidative Quenching of Eosin Y
LI Bo, LÜ Gong Xuan
The effects and mechanism of methyl viologen (MV2+) on photocatalytic hydrogen production over an active, stable catalys...
2013, 29 (08): 1778-1784.
DOI: 10.3866/PKU.WHXB201305302
4503
Abstract/Metrics
1649
PDF(693KB)
BIOPHYSICAL CHEMISTRY
Acid-Induced Unfolding Process of Myoglobin and Its Mutant under Macromolecular Crowding Conditions
ZHANG Yu-Jiao, TANG Qian, CAO Hong-Yu, ZHENG Xue-Fang
In this paper, we studied the unfolding process of myoglobin (Mb) and its mutant Mb(D60K) induced by acid under macromol...
2013, 29 (08): 1785-1792.
DOI: 10.3866/PKU.WHXB201305271
2761
Abstract/Metrics
Supporting Info
1418
PDF(2565KB)
Multicomplex-Based Pharmacophore and QSAR of Aryl-Sulfamides as Pyruvate Kinase M2 Activators
CHEN Zheng-Jun, JIANG Qing-Lin, HE Gu, HAN Bo, GUO Li
Pyruvate kinase M2 (PKM2) is well-known as a potential target for cancer therapy. In this study, the multicomplex-based ...
2013, 29 (08): 1793-1803.
DOI: 10.3866/PKU.WHXB201305152
2912
Abstract/Metrics
1460
PDF(1503KB)
PHYSICAL CHEMISTRY OF MATERIALS
Influence of KH on Reversible Dehydriding Performance of Na-Al-H Complex Hydride
WANG Shun-Kui, LI Zhi-Jie, XIAO Xue-Zhang, FAN Xiu-Lin, CHEN Zhi-Wen, LI Shou-Quan, GE Hong-Wei, CHEN Li-Xin
The Na-Al-H complex hydride was prepared by reactive ball milling (NaH/Al+CeCl3) and (NaH/Al+CeCl3/yKH) (y=0.02, 0.04) c...
2013, 29 (08): 1804-1808.
DOI: 10.3866/PKU.WHXB201306061
2755
Abstract/Metrics
1206
PDF(641KB)
Synthesis of Plate Like Silicalite-1 with Controlled Thickness
YAO Xiao-Qiang, XU Xiang-Yu, LÜ Zhi, JIAO Kun, SONG Jia-Qing, LI Zhao-Fei, WANG Qian, YAN Li-Jun, HE Ming-Yuan
In this study, plate like Silicalite-1 samples with controlled thickness were synthesized using a SiO2-TPAOH-H2O-NH4F (T...
2013, 29 (08): 1809-1813.
DOI: 10.3866/PKU.WHXB201305161
3209
Abstract/Metrics
1643
PDF(1221KB)
Effects of Derivatives of 3-Mercaptoisobutyric Acid on the Aqueous Synthesis of CdTe Quantum Dots
MA Kai-Guo, FANG Tan, BAI Jin-Yi, GUO Hai-Qing
Mercapto acids can affect the obtaining CdTe quantum dots (QDs) with narrow size distribution and high fluorescent quant...
2013, 29 (08): 1814-1818.
DOI: 10.3866/PKU.WHXB201305301
3264
Abstract/Metrics
Supporting Info
1640
PDF(1401KB)
Synthesis and Visible Light Photocatalytic Activities of Au/Cu
2
O Heterogeneous Nanospheres
SHANG Yang, CHEN Yang, SHI Zhan-Bin, ZHANG Dong-Feng, GUO Lin
Au/Cu2O heterogeneous spheres (HGS) were prepared by in situ reduction of preadsorbed AuCl4- on the surface of Cu2O meso...
2013, 29 (08): 1819-1826.
DOI: 10.3866/PKU.WHXB201305281
4946
Abstract/Metrics
Supporting Info
2421
PDF(3443KB)
Preparation of Electrospun In
2
O
3
/CdO Composite and Its Formaldehyde-Sensing Properties
CHEN Peng-Peng, WANG Jing, ZHANG Chun-Li, HAO Yu-Wen, DU Hai-Ying
In(NO3)3/polyvinyl pyrrolidone (PVP) nanofiber precursors were synthesized using a traditional electrospinning method, a...
2013, 29 (08): 1827-1836.
DOI: 10.3866/PKU.WHXB201306091
3076
Abstract/Metrics
1802
PDF(1787KB)