Acta Phys. -Chim. Sin.

Table of Contents

Cover and Table of Contents for Vol.29 No. 8
Acta Phys. -Chim. Sin. 2013, 29 (08), 0.

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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1609-1617. DOI: 10.3866/PKU.WHXB201306032

Effect of the Ratio between Ionic Liquids [BMIM]Br and [BMIM][BF₄] 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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1618-1622. DOI: 10.3866/PKU.WHXB201305272

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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1623-1631. DOI: 10.3866/PKU.WHXB201305282

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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1632-1638. DOI: 10.3866/PKU.WHXB201304281

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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1639-1647. DOI: 10.3866/PKU.WHXB201305171

Electronic Structure and Edge Modification of Armchair MoS₂ 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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1648-1654. DOI: 10.3866/PKU.WHXB201305211

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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1655-1660. DOI: 10.3866/PKU.WHXB201305222

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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1661-1665. DOI: 10.3866/PKU.WHXB201305273

Improvement of Surface Structure and Enhancement of Conductivity of LiFePO₄ 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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1666-1672. DOI: 10.3866/PKU.WHXB201304232

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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1673-1680. DOI: 10.3866/PKU.WHXB201306041

ELECTROCHEMISTRY AND NEW ENERGY

Hydrothermal Synthesis of Partially Reduced Graphene Oxide-K₂Mn₄O₈ 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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1681-1690. DOI: 10.3866/PKU.WHXB201305223

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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1691-1697. DOI: 10.3866/PKU.WHXB201306031

Electrochemistry of MgCl₂ 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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1698-1704. DOI: 10.3866/PKU.WHXB201305102

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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1705-1711. DOI: 10.3866/PKU.WHXB201306043

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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1712-1718. DOI: 10.3866/PKU.WHXB201305132

Preparation and Properties of Direct-Methane Solid Oxide Fuel Cell Based on a Graded Cu-CeO₂-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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1719-1726. DOI: 10.3866/PKU.WHXB201305151

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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1727-1734. DOI: 10.3866/PKU.WHXB201306042

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']...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1735-1744. DOI: 10.3866/PKU.WHXB201305241

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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1745-1752. DOI: 10.3866/PKU.WHXB201305101

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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1753-1761. DOI: 10.3866/PKU.WHXB201306141

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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1762-1770. DOI: 10.3866/PKU.WHXB201306033

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 ...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1771-1777. DOI: 10.3866/PKU.WHXB201305131

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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1778-1784. DOI: 10.3866/PKU.WHXB201305302

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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1785-1792. DOI: 10.3866/PKU.WHXB201305271

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 ...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1793-1803. DOI: 10.3866/PKU.WHXB201305152

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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1804-1808. DOI: 10.3866/PKU.WHXB201306061

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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1809-1813. DOI: 10.3866/PKU.WHXB201305161

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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1814-1818. DOI: 10.3866/PKU.WHXB201305301

Synthesis and Visible Light Photocatalytic Activities of Au/Cu₂O 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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1819-1826. DOI: 10.3866/PKU.WHXB201305281

Preparation of Electrospun In₂O₃/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...
Acta Phys. -Chim. Sin. 2013, 29 (08), 1827-1836. DOI: 10.3866/PKU.WHXB201306091