Acta Physico-Chimica Sinca

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2008 Vol. 24,No. 11Published:10 November 2008 Date of publication: 10 November 2008
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COMMUNICATION
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Table of Contents

Table of Contents for Vol.24 No.11
2008, 24 (11): 0-0

COMMUNICATION

Enhanced Raman Scattering by Polystyrene Microspheres and Application for Detecting Molecules Adsorbed on Au Single Crystal Surface
LIN Xiu-Mei, WANG Xiang, LIU Zheng, REN Bin
By assembling polystyrene microsphores on a sample surface, the surface Raman signal could be enhanced. The dependence of the e...
2008, 24 (11): 1941-1944 DOI: 10.1016/S1872-1508(08)60075-3

Article

Synthesis, Structure and Thermal Property of [(n-C₁₆H₃₃)N(CH₃)₃]₂[TiF₆]·2H₂O
LIU Guo-Qi, LI Guo-Bao, LIAO Fu-Hui, LIN Jian-Hua
A new compound dicetyltrimethylammonium hexafluorotitanium dihydrate, [(n-C16H33)N(CH3)3]2[TiF6]·2H2O (compound 1), was hyd...
2008, 24 (11): 1945-1949 DOI: 10.1016/S1872-1508(08)60076-5

Application of Triphenylamine-Based Sensitizers with Two Carboxylic Acid Groups to Dye-Sensitized Solar Cells
PEI Juan, LIANG Mao, CHEN Jun, TAO Zhan-Liang, XU Wei
Two triphenylamine-based dyes (TPAR3 and TPAR6) containing two carboxylic acid groups with different conjugated lengths were synth...
2008, 24 (11): 1950-1956 DOI: 10.1016/S1872-1508(08)60077-7

Mechanism of Formation and Consequent Evolution of Active Cellulose during Cellulose Pyrolysis
LIU Qian, WANG Shu-Rong, WANG Kai-Ge, GUO Xiu-Juan, LUO Zhong-Yang, CEN Ke-Fa
An intermediate product that was yellow, soluble, and solid was obtained in a high-radiation flash pyrolysis reactor. Under two di...
2008, 24 (11): 1957-1963 DOI: 10.1016/S1872-1508(08)60078-9

Hydrogen Diffusion Behavior in Perfect δ-Pu Metal
WEI Hong-Yuan; LUO Shun-Zhong; LIU Guo-Ping; XIONG Xiao-Ling; SONG Hong-Tao
The diffusion behavior of hydrogen atomin perfect δ-Pu metal was studied with density functional theory (DFT) and periodical model...
2008, 24 (11): 1964-1968 DOI: 10.3866/PKU.WHXB20081105

Electrical and Optical Properties of MWNTs/HDPE Composites in THz Region
CHEN Xi-Liang; MA Ming-Wang; YANG Xiao-Min; YANG Kang; JI Te; WU Sheng-Wei; ZHU Zhi-Yong
Conductive composites were prepared by filling high density polyethylene (HDPE) with various amounts of multi-walled carbon nanotu...
2008, 24 (11): 1969-1974 DOI: 10.3866/PKU.WHXB20081106

Effect of Composite Modes on Photoelectrochemical Properties of MWCNTs/TiO₂ Nanocomposite Films
ZHANG Wei; CUI Xiao-Li; JIANG Zhi-Yu
A series of nanocomposite of TiO2 thin films and multi-walled carbon nanotubes (MWCNTs) in different forms were prepared by sol-ge...
2008, 24 (11): 1975-1980 DOI: 10.3866/PKU.WHXB20081107

Probing Non-Covalent Complexes of Glutathione with D-Amino Acids by Mass Spectrometry
CHU Yan-Qiu; PAN Ting-Ting; DAI Zhao-Yun; YU Zhuo-Wei; ZHENG Song-Bai; DING Chuan-Fan
To investigate the non-covalent interaction between glutathione and D-amino acids, stoichiometric reduced glutathione (GSH) and th...
2008, 24 (11): 1981-1987 DOI: 10.3866/PKU.WHXB20081108

Ta/BDD Film Electrode for Electrochemical Oxidation Nitrophenol
GAO Cheng-Yao; CHANG Ming
The physical and electrochemical behaviors of the tantalum substrate born-doped diamond (Ta/BDD)electrode prepared by hot filament...
2008, 24 (11): 1988-1994 DOI: 10.3866/PKU.WHXB20081109

Adsorption and Dissociation of N₂ Molecule on UO(100) Surface
ZHENG Jin-De; LU Chun-Hai; SUN Bao-Zhen; CHEN Wen-Kai
The adsorption of N2 molecule on the UO(100) surface was studied with periodic slab model by VWN-BP approach of GGA within the fra...
2008, 24 (11): 1995-1999 DOI: 10.3866/PKU.WHXB20081110

Blue- and Red-Shifted Hydrogen Bonds between HNO and (HF)_1≤n≤3
NI Jie; LI An-Yong; YAN Xiu-Hua
Quantum chemistry ab initio methods were applied to study the blue-and red-shifted H-bonds between HNO and (HF)1≤n≤shifts were cau...
2008, 24 (11): 2000-2006 DOI: 10.3866/PKU.WHXB20081111

Oxidation and Thermodynamic Properties of Ag-Sn Alloy
FENG Jing; CHEN Jing-Chao; XIAO Bing; DU Ye-Ping; WANG Sheng-Hao; ZHANG Li-Juan
Diffused and reactive O atom in process of internal oxidation in Ag-Sn-O system was calculated by density functional perturbation ...
2008, 24 (11): 2007-2012 DOI: 10.3866/PKU.WHXB20081112

Adsorption of Methanol on the Pt-Mo(111)/C Surface
LI Lai-Cai; WANG Yi-Wei; TIAN An-Min
The density functional theory (DFT) and self-consistent periodic calculation were used to investigate the methanol adsorption on P...
2008, 24 (11): 2013-2018 DOI: 10.3866/PKU.WHXB20081113

Characterization of Visible Light Response N-F Codoped TiO₂ Photocatalyst Prepared by Acid Catalyzed Hydrolysis
LI Xiao-Hui, LIU Shou-Xin
N-FcodopedTiO2 (TONF) photocatalystswere prepared usingacidcatalyzed hydrolysismethod frommixed aqueous solution of TiCl4 and NH4F...
2008, 24 (11): 2019-2024 DOI: 10.1016/S1872-1508(08)60079-0

A Density Functional Theory Study of Formaldehyde Adsorption on CeO2(111) Surface
JIANG Shi-Yu; TENG Bo-Tao; LU Ji-Qing; LIU Xue-Song; YANG Pei-Fang; YANG Fei-Yong; LUO Meng-Fei
Formaldehyde adsorption on CeO2(111) surface terminated by bridge O atom was systematically investigated by periodic density funct...
2008, 24 (11): 2025-2031 DOI: 10.3866/PKU.WHXB20081115

Electrodeposition Behaviors of Pure Cobalt in Ionic Liquid
YANG Pei-Xia; AN Mao-Zhong; SU Cai-Na; WANG Fu-Ping
The electrodeposition of metallic Co from a 1-ethyl-3-methylimidazolium chloride (EMIC) ionic liquid containing ethylene glycol (E...
2008, 24 (11): 2032-2036 DOI: 10.3866/PKU.WHXB20081116

Preparation of Surface-Modified Hollow LaF₃ Nanoparticles and Their Tribological Performances
MA Xue-Hui; ZHAO Yan-Bao; WU Zhi-Shen
Surface-modified hollow LaF3 nanoparticles were prepared in an oleate/cetyltrimethylammoniumbromide micellar emulsion. Their morph...
2008, 24 (11): 2037-2041 DOI: 10.3866/PKU.WHXB20081117

Molecular Dynamics Simulation on Melting of Metal Cluster with Small Size
CHEN Ying; WANG Xiu-Ying; ZHAO Jun-Qing
The melting processes of little size metal clusters were simulated by molecular dynamics method. The atomic interaction was descri...
2008, 24 (11): 2042-2046 DOI: 10.3866/PKU.WHXB20081118

Molecular Dynamics Simulation of Structure and Dynamics Properties of Water Near an Au Nanoparticle
YANG Zhen; YANG Xiao-Ning; XU Zhi-Jun
Classical molecular dynamics simulations were employed to investigate the structural and dynamical properties of water near an Au ...
2008, 24 (11): 2047-2052 DOI: 10.3866/PKU.WHXB20081119

Reaction Mechanisms of HCHO+X(X=F, Cl, Br)
LI Xiao-Yan; ZENG Yan-Li; MENG Ling-Peng; ZHENG Shi-Jun
The reactions of HCHO+X (X=F, Cl, Br) were studied at CCSD/6-311++G(d,p)//B3LYP/6-311++G (d,p) level. The computational results sh...
2008, 24 (11): 2053-2058 DOI: 10.3866/PKU.WHXB20081120

Mechanism of the Copper-Catalyzed Water Gas Shift Reaction
MAO Jiang-Hong; NI Zhe-Ming; PAN Guo-Xiang; XU Qian
A detailed density functional theory (DFT) investigation revealed three possible micro-mechanisms of the water-gas shift reaction ...
2008, 24 (11): 2059-2064 DOI: 10.3866/PKU.WHXB20081121

Hydrogen-Bonded Complex between Ozone and Thioperoxy Radical in Gas-Phase
YUAN Kun; LIU Yan-Zhi; ZHU Yuan-Cheng; ZHANG Ji
B3LYP/6-311++G** and MP2/6-311++G** calculations were used to analyze the interaction between thioperoxy radical (HSO) and ozone (...
2008, 24 (11): 2065-2070 DOI: 10.3866/PKU.WHXB20081122

Photocatalytic Properties of Composite of SiO₂ and Pt-Cd_0.53Zn_0.47S Solid Solutions
HU Yuan-Fang; LI Yue-Xiang; PENG Shao-Qin; LV Gong-Xuan; LI Shu-Ben
Cd0.53Zn0.47S was prepared by a coprecipitation method. Pt was loaded onto Cd0.53Zn0.47S by photodeposition method. SiO2 was depos...
2008, 24 (11): 2071-2076 DOI: 10.3866/PKU.WHXB20081123

Structure and Interaction of Ion-Pairs of [EPy]Cl and [EPy]Br in Gas and Liquid Phases
WANG Xiao-Lu; WAN Hui; GUAN Guo-Feng
The structures of ionic liquids N-ethyl-pyridinium chloride ([EPy]Cl) and N-ethyl-pyridinium bromide ([EPy]Br) were studied by den...
2008, 24 (11): 2077-2082 DOI: 10.3866/PKU.WHXB20081124

C—S Activation of CS₂ by Y⁺ in Gas Phase
GAO Li-Guo; SONG Xiao-Li; CHEN Xiao-Xia; WANG Yong-Cheng
The reaction of Y+ with CS2, which was selected as the representative system of the reactions of second-row transition metal ions ...
2008, 24 (11): 2083-2088 DOI: 10.3866/PKU.WHXB20081125

Synthesis and Micellization of Photosensitive Amphiphilic Comblike SMA Polymer
JIANG Jin-Qiang; FENG Yan; WANG Hong-Mei; LIU Xiao-Ya; ZHANG Sheng-Wen; CHEN Ming-Qing
Coumarin-containing styrene monomer (CS) was designed and synthesized, which could be used together with styrene (St) and maleic a...
2008, 24 (11): 2089-2095 DOI: 10.3866/PKU.WHXB20081126

Electron Structure and Energy Transformation Mechanism of the Surface of Porous Nanocrystalline TiO₂ Doped with La
LI Kui-Ying; GUO Jing; LIU Tong; ZHOU Bing-Jing; LI Yue
The porous nanocrystalline TiO2 doped with La was synthesized by sol-gel method. The combination of the photoacoustic (PA) and the...
2008, 24 (11): 2096-2101 DOI: 10.3866/PKU.WHXB20081127

Catalytic Cracking of C₄ Hydrocarbons on ZSM-5 Molecular Sieves with Low SiO₂/A_l2O₃ Molar Ratio
WANG Wen-Lan; LIU Bai-Jun; ZENG Xian-Jun
The catalytic cracking of C4 hydrocarbons was investigated using ZSM-5 with low SiO2/Al2O3 molar ratio (n(SiO2)/n(Al2O3)=20-45) as...
2008, 24 (11): 2102-2107 DOI: 10.3866/PKU.WHXB20081128

Catalytic Combustion of Methane over CeO₂-MO_x (M=La³⁺, Ca²⁺) Solid Solution Promoted Pd/γ-Al₂O₃ Catalysts
XIAO Li-Hua, SUN Kun-Peng, XU Xian-Lun
Solid solution CeO2-MOx (M=La3+, Ca2+) promoted Pd/γ-Al2O3 catalysts were prepared by a deposition-precipitation method. The...
2008, 24 (11): 2108-2113 DOI: 10.1016/S1872-1508(08)60080-7

Coordination Structure between Modified PAN Fiber and Fe(III) Ion and Its Catalytic Function on Degradation of Azo Dyes
DONG Yong-Chun; DU Fang; HAN Zhen-Bang
The coordination process and structure between amidoxime modified polyacrylonitrile (AO-PAN) fiber and FeCl3 in aqueous solution w...
2008, 24 (11): 2114-2121 DOI: 10.3866/PKU.WHXB20081130

Note

Frequency Response of SWCNT Field-Effect Transistors with MWCNT Interconnects
ZHU Yu-Zhen; WANG Sheng; WEI Xian-Long; DING Li; ZHANG Zhi-Yong; LIANG Xue-Lei; CHEN Qing; PENG Lian-Mao
Single-walled carbon nanotube field-effect transistors (SWCNT FETs) with multi-walled carbon nanotubes (MWCNTs) as interconnects w...
2008, 24 (11): 2122-2127 DOI: 10.3866/PKU.WHXB20081131

A Random Walk Model for Molecular Anisotropic Diffusion in Siliceous β-Zeolites
YANG Xiao-Feng; QIN Zhang-Feng; WANG Jian-Guo
A model of molecules diffusion in β-zeolite was proposed by assuming that the movement of molecules was a random walk on different...
2008, 24 (11): 2128-2132 DOI: 10.3866/PKU.WHXB20081132

Effect of Anions on the Electrochemical Formation of TiO₂ Nanotube Arrays in a Glycerol Based Electrolyte
YIN Yu-Xin; JIN Zheng-Guo; TAN Xin; HOU Feng; ZHAO Lin
The formation of titania nanotubes was achieved by electrochemical anodization in glycerol based
electrolytes. We investigated...
2008, 24 (11): 2133-2138 DOI: 10.3866/PKU.WHXB20081133

Electrocatalytic Reduction of Maleic Acid at Bundles of TiO₂ Anodization Film
ZHAO Feng-Ming; SHEN Hai-Ping; CHEN Zhao-Yang; MA Chun-An
Anodic oxidation is a novel and simple method to fabricate TiO2 film with particular morphologies in a mixture of 0.5 mol·L-1 H2SO...
2008, 24 (11): 2139-2142 DOI: 10.3866/PKU.WHXB20081134

Phase Behavior of Tween80/BmimPF₆/Alcohol/Toluene Systems
ZHENG Yong-Jun; ELI Wumanjiang
To investigate the influence of different alcohols on the isotropic microemulsion zone of a 1-butyl-3-methylimidazolium hexafluoro...
2008, 24 (11): 2143-2148 DOI: 10.3866/PKU.WHXB20081135