Acta Physico-Chimica Sinca
Acta Physico-Chimica Sinca
2008 Vol. 24,No. 01
Published:05 January 2008
Date of publication: 05 January 2008
Table of Contents
Table of Contents
Table of Contents for Vol.24 No.1
2008, 24 (01): 0-0
Theoretical Assignments of the Optical Conductivity and Energy-loss Function Spectra of EuB
JIANG Jun; BIAN Jiang; LI Le-Min
On the basis of the calculated band structure of EuB6 with a higher accuracy, the optical conductivity and energy-loss function sp...
2008, 24 (01): 1-7
Radical Chain Reaction of Alkene Molecule on H-terminated Si(100)-2×1 Surface
YAN Hui; YUAN Shi-Ling; LIU Cheng-Bu
The density functional theory and ab initio molecular dynamic method were applied on the radical initiated chain reaction of unsat...
2008, 24 (01): 8-12
Carbon Electrode Material with High Densities of Energy and Power
YANG Jing; LIU Ya-Fei; CHEN Xiao-Mei; HU Zhong-Hua; ZHAO Guo-Hua
Activated carbon (AC) samples as electrode materials were prepared by means of simultaneous physical-chemical activation using wal...
2008, 24 (01): 13-19
Nonlinear Characteristics of Conductivity in Aqueous NaCl Solution at Microwave Frequency
HUANG Ka-Ma; JIA Guo-Zhu; YANG Xiao-Qing
The influence of electromagnetic fields on conductivity of aqueousNaCl solution at microwave frequency was studied. The Langvin eq...
2008, 24 (01): 20-24
Solid Phase Extraction of Dropropizine Using Molecularly Imprinted Polymers
GENG Li-Na; KANG Ning; NING Zhou-Yun; WU Li-Qing; LI Yan; SUN Li-Quan; LUO Ai-Qin
Molecularly imprinted polymer (MIP) against dropropizine was synthesized using dropropizine as template, α-methyl acrylic acid as ...
2008, 24 (01): 25-31
ATheoretical Study on a Kind of Novel Diboron Organic Compound with a Planar Tetracoordinate Carbon
SUN Wen-Xiu; ZHANG Cong-Jie
Using B3LYP functional with 6-311+G** basis set, the structures, stabilities and vibrational frequencies of a kind of novel diboro...
2008, 24 (01): 32-36
Structural and Electronic Properties of New Materials Based on Thiophene and Phenylene
ZGOU Hsaine; HAMIDI Mohamed; LERE-PORTE Jean-Pierre; SEREIN-SPIRAU Francoise; BOUACHRINE Mohammed
Theoretical study on the geometries and electronic properties of new conjugated compounds based on thiophene and phenylene was car...
2008, 24 (01): 37-40
Effect of Isomerismin the Dipolar Interaction of Benzene with Butanol
ARUL G.; JAAFAR Mohamad Suhaimi; PALANIAPPAN L.
Sound velocity, density, and viscosity values were measured at 303Kin four binary systems of benzene + 1-, 2-, tert-, or iso-butan...
2008, 24 (01): 41-46
Intermolecular Interactions in Binary Liquid Mixtures of Styrene with
ALI Anwar; NABI Firdosa
The densities (ρ), ultrasonic speeds (v), and refractive indices (n) of binary mixtures of styrene (STY) with m-, o-, or p-xyl...
2008, 24 (01): 47-54
First-Principle Calculations of the Adsorption, Dissociation and Diffusion of Hydrogen on the Mg(0001) Surface
WU Guang-Xin; ZHANG Jie-Yu; WU Yong-Quan; LI Qian; CHOU Kuo-Chih; BAO Xin-Hua
First-principle pseudopotential plane wave calculations and the Nudged Elastic Band method based on the density functional theory ...
2008, 24 (01): 55-60
First-Principle Calculation of Nitrogen-Doped
CHEN Kun; FAN Guang-Han; ZHANG Yong; DING Shao-Feng
The electronic structures of pure and N-doped wurtzite ZnO were calculated using first-principle ultrasoft pseudo-potential approa...
2008, 24 (01): 61-66
Theoretical Study on the Structures and Stabilities of the N
XU Bo-Hua; LI Lai-Cai; WANG Xin; TIAN An-Min
Twenty-three possible steady isomers of N5H5 were optimized at 6-311++G** level using the density functional B3LYP method, and tau...
2008, 24 (01): 67-73
Determination of Homogeneous Nucleation Temperature of Intracellular Solution during Cooling
CHEN Cong; LI Wei-Zhong
In order to study the homogeneous nucleation temperature of intracellular solution during cooling, an iteration method has been pr...
2008, 24 (01): 74-78
Study on Zn(II) Tetracarboxy Phthalocyanine Doped TiO
Electrode Using Electrochemical Impedance Spectrum
ZHANG Jun-Jie; WU Min; QIN Yan-Tao; CHEN Rui; JIANG Yin-Hua; SUN Yue-Ming; YANG Zhao-Hui
Nanocrystalline TiO2 electrode as well as Zn(II) tetracarboxy phthalocyanine (ZnPcTc) doped mesoporous nanocrystalline TiO2 electr...
2008, 24 (01): 79-84
Filtering of Electrochemical Transients by Empirical Mode Decomposition Method
ZHAO Yong-Tao; YAN Jin-Chen
A filtering method based on empirical mode decomposition (EMD) for coulostatically-induced transients (CITs) was presented. The ef...
2008, 24 (01): 85-90
Dielectric Constants for Binary Saccharide-Water Solutions at 278.15-313.15 K
CHEN Yu-Juan; ZHUO Ke-Lei; KANG Lei; XU Si-Jiao; WANG Jian-Ji
The dielectric constants (D) for aqueous solutions of D-(-)-fructose, D-(+)-glucose, D-(+)-galactose, D-(+)-xylose, and D-(-)-ribo...
2008, 24 (01): 91-96
Preparation and Properties of Carbon Nanotube-TiO
WU Yu-Cheng; LIU Xiao-Lu; YE Min; XIE Ting; HUANG Xin-Min
Coating carbon nanotube surface with TiO2 as anatase was performed by sol-gel method using Ti(OBu)4. The morphological structure o...
2008, 24 (01): 97-102
Eelectrochemical Performance of Capacitors Using [BMIm]BF
/Fc as Electrolyte
SUN Guo-Hua; LI Kai-Xi; FAN Hui; GU Jian-Yu; LI Qiang; LIU Yue
The electrochemical behaviors of ferrocene (Fc)-containing ionic liquid [BMIm]BF4 were investigated in a system, which used ferroc...
2008, 24 (01): 103-108
Modulation of Eucheuma Striatum Sulfated Polysaccharide before and after Degradation on Crystal Growth of Calcium Oxalates
WANG Miao; YU Hai-Yan; OUYANG Jian-Ming
Algal eucheuma striatumsulfated polysaccharide (ESPS) collected from Indonesian sea was degraded by hydrogen peroxide (H2O2).After...
2008, 24 (01): 109-114
Inhibition Action of the Self-Assembled Monolayers of 3-Amino-1,2,4-triazole on Brass
XU Qun-Jie; WAN Zong-Yue; YIN Ren-He; ZHU Lu-Jun; CAO Wei-Min; ZHOU Guo-Ding; LIN Chang-Jian
The anticorrosion and inhibiting mechanism for the self-assembled monolayers (SAMs) of 3-amino-1,2,4-triazole (ATA) on the surface...
2008, 24 (01): 115-120
-chloronitrobenzene over CNTs Supported Pt Catalyst Obtained by Laser Vaporization of Bulk Metal
XU Xing-Zhong; YANG Jian-Feng; LI Xiao-Nian; YAN Xin-Huan
Pt nano clusters were produced by the laser vaporization of bulk metal and were deposited on the surface of carbon nanotubes (CNTs...
2008, 24 (01): 121-126
First-Principle Calculations on the Atomic Geometry and Electronic States of COMonolayer on Cu(001) Surface
ZHAO Xin-Xin; MI Yi-Ming
First-principle calculations were performed on the geometric structure and adsorption properties of CO monolayer on Cu(001) surfac...
2008, 24 (01): 127-132
Organic Light-Emitting Diodes Based on New Silole Derivatives
LI Qing; YU Jun-Sheng; LI Lu; JIANG Ya-Dong; SUO Fan; ZHAN Xiao-Wei
Two light emissive organic light-emitting diodes (OLEDs) of high performance were prepared by vacuum thermal evaporation using two...
2008, 24 (01): 133-137
Inhibition Mechanismof Imidazoline Derivative Inhibitor for Q235 Steel in Saltwater Saturated with CO
LIU Fu-Guo; DU Min; ZHANG Jing; QIU Meng
Laboratory investigations (polarization and electrochemical impedance spectroscopy) were performed in order to assess the effectiv...
2008, 24 (01): 138-142
Synthesis, Characterization and Photochemical Characteristic of Magnesium Tetraphenyl Porphyrin
ZHANG Peng-Yan; ZHANG Jian-Bin; YU Xi-Chang; ZHANG Ling-Wei; WEI Xiong-Hui
A new synthetic way of magnesium tetraphenyl porphyrin (MgTPP) was presented, by which MgTPP was synthesized with tetraphenyl porp...
2008, 24 (01): 143-146
Semiconductor Properties of Anodic Oxide Film Formed on Aluminum
ZHAO Jing-Mao; GU Feng; ZHAO Xu-Hui; ZUO Yu
The semiconductor properties of anodic oxide film formed on commercial pure aluminum were analyzed usingMott-Schottky theory and p...
2008, 24 (01): 147-151
Oxidation Ability of Nanocrystalline Ni-Coated Al Powders
CHENG Zhi-Peng; YANG Yi; WANG Yi; LI Miao-Miao; LI Feng-Sheng
Nanocrystalline Ni-coated Al composite powders were prepared by a fast, simple and quantitative method. The morphology and oxidati...
2008, 24 (01): 152-156
PVA-Assisted Synthesis and Characterization of CdS Nanowires
GAI Hong-De; WU You-Shi; WU Li-Li; SHI Yuan-Chang; JING Min; ZOU Ke
CdS nanowires were successfully synthesized via a solvothermal route with the assistance of poly(vinyl alcohol) (PVA). The prepare...
2008, 24 (01): 157-160
Binding Thermodynamic Constants of Alkaline Earth Metal Ions with 18-Crown-6 Studied by Microcalorimetry
LIU Peng; LI Xi; PAN Mu
The binding of alkaline earth metal ions with 18-crown-6 was studied by microcalorimetry. Equilibrium constant and changes of enth...
2008, 24 (01): 161-164
Electrochemical Behavior of High-Voltage LiNi
Electrodes at Elevated Storage Temperature
DU Guo-Dong; NULI Yan-Na; FENG Zhen-Zhen; WANG Jiu-Lin; YANG Jun
5 V cathode materials LiNi0.5Mn1.5O4-xFx (x=0, 0.1) for lithium ion battery were synthesized via sol-gel method combined with high...
2008, 24 (01): 165-170
Synthesis of High Surface Area Silicon Carbide and Its Application in CO Oxidation Reaction
ZHAN Ying-Ying; CAI Guo-Hui; ZHENG Yong; SHEN Xiao-Nv; ZHENG Ying; WEI Ke-Mei
A sol-gel process was employed to prepare SiC precursors, using tetraethyl orthosilicate (TEOS) and sucrose as raw materials. And ...
2008, 24 (01): 171-175
Crystal Structure and Acid-Base Properties of Ozagrel
YANG Wei-Chun; JU Chuan-Chuan; FAN Su-Hua; SUN Hao-Ling; WANG Ke-Zhi
Crystal structure of ozagrel was determined by X-ray diffraction. The compound was crystallized in the orthorhombic space group P2...
2008, 24 (01): 176-178
Preparation and Spectrum Characteristics of Sr
LI Pan-Lai; YANG Zhi-Ping; WANG Zhi-Jun; XIONG Zhi-Jun; GUO Qing-Lin
The Sr2SiO4:Eu3+ phosphor was synthesized by sol-gel method. The excitation and emission spectra were investigated. The emission s...
2008, 24 (01): 179-182
Self-Assembly of Multipod-like Gold Nanoparticles in the Soft Template of SDS-PVP Clusters
WANG Chun-Rong; FANG Yun; LI Bo
Gold crystals are able to self-assemble into multipod-like nanoparticles through reducing HAuCl4 by sodium citrate in the soft tem...
2008, 24 (01): 183-186