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Acta Phys. -Chim. Sin.
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中文
Current Issue
2012 Vol. 28,No. 03
Published: 23 February 2012
Current column
Table of Contents
COMMUNICATION
INVITED REVIEW
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
THEORETICAL AND COMPUTATIONAL CHEMISTRY
ELECTROCHEMISTRY AND NEW ENERGY
CATALYSIS AND SURFACE SCIENCE
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
PHYSICAL CHEMISTRY OF MATERIALS
Table of Contents
Cover and Table of Contents for Vol.28 No. 3
2012, 28 (03): 0.
1870
Abstract/Metrics
1930
PDF(8455KB)
COMMUNICATION
Correlation between Bond-Length Change and Vibrational Frequency Shift in Hydrogen-Bonded Complexes Revisited
ZHANG Yu, MA Ning, WANG Wei-Zhou
The correlation between the X―H bond-length change and the corresponding X―H stretching frequency shift upon X ―H·...
2012, 28 (03): 499-503.
DOI: 10.3866/PKU.WHXB201112303
35903
Abstract/Metrics
3838
PDF(653KB)
INVITED REVIEW
Molecular Structures of Buried Polymer Interfaces and Biological Interfaces Detected by Sum Frequency Generation Vibrational Spectroscopy
CHEN Zhan
Molecular structures at interfaces determine interfacial properties. In order to optimize the interfacial structures to ...
2012, 28 (03): 504-521.
DOI: 10.3866/PKU.WHXB201201091
4770
Abstract/Metrics
1696
PDF(1489KB)
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
Ultrafast Predissociation Dynamics of Excited State of Acrylic Acid
ZHANG Rong-Rong, QIN Chao-Chao, LONG Jin-You, YANG Ming-Hui, ZHANG Bing
The ultrafast predissociation dynamics of acrylic acid after excitation to the second electronically excited state (S2) ...
2012, 28 (03): 522-527.
DOI: 10.3866/PKU.WHXB201201122
4090
Abstract/Metrics
1847
PDF(1467KB)
Effect of Hyperbranched Polyester on the Non-Isothermal Crystallization Behavior of Polyethylene Glycol
LIU Jing-Ru, XU Jie, DONG Hong-Chao, YU Qiang
The effect of hyperbranched polyester (HBP) on the non-isothermal crystallization behavior of polyethylene glycol (PEG) ...
2012, 28 (03): 528-535.
DOI: 10.3866/PKU.WHXB201112202
4401
Abstract/Metrics
2141
PDF(3459KB)
THEORETICAL AND COMPUTATIONAL CHEMISTRY
A Computational Method for Specified Substructure Search in Inorganic Crystal Structures
HUO Wei-Feng, LI Yi, LU Jun-Ran, YU Ji-Hong, XU Ru-Ren, LI Jing
In this paper, a computational method for the substructure search in inorganic crystal structures is proposed. This meth...
2012, 28 (03): 536-540.
DOI: 10.3866/PKU.WHXB201201041
4565
Abstract/Metrics
1855
PDF(552KB)
MOLMAP Descriptor and Its Application to Mutagenicity Prediction
ZHANG Qing-You, LONG Hai-Lin, FENG Xiu-Lin, SUO Jing-Jie, ZHANG Dan-Dan, LI Jing-Ya, XU Li-Zhuang, XU Lu
The molecular mapping of atom-level properties (MOLMAP) descriptor was generated on the basis of chemical bond descripto...
2012, 28 (03): 541-546.
DOI: 10.3866/PKU.WHXB201112281
4041
Abstract/Metrics
1203
PDF(570KB)
Predicting Hydrogen Storage Performances in Porous Aromatic Frameworks Containing Carboxylate Functional Groups with Divalent Metallic Cations
MIAO Yan-Lin, SUN Huai, WANG Lin, SUN Ying-Xin
We report force field predictions for the hydrogen uptakes of porous aromatic framework (PAF) materials containing carbo...
2012, 28 (03): 547-554.
DOI: 10.3866/PKU.WHXB201112301
4607
Abstract/Metrics
1652
PDF(1257KB)
Structures and Nonlinear Optical Properties of the Alkalides M
+
aza222M′
-
(M, M′=Li, Na, K)
FAN Li-Tao, LI Ying, WU Di, LI Zhi-Ru, SUN Chia-Chung
Using density functional theory with the B3LYP functional, the optimized structures of the organic alkalides M+ aza222M&...
2012, 28 (03): 555-560.
DOI: 10.3866/PKU.WHXB201112212
4548
Abstract/Metrics
1395
PDF(705KB)
Asymmetric Michael Addition between Nitroolefins and Sulfur Ylides Catalyzed by a Thiourea Organocatalyst
SUN Xiang-Ting, ZHANG Dong-Ju, FENG Da-Cheng, LIU Cheng-Bu
Using density functional theory calculations, we have studied the 1-(2-chlorophenyl)-2-thiourea catalyzed reaction of ni...
2012, 28 (03): 561-566.
DOI: 10.3866/PKU.WHXB201201112
4799
Abstract/Metrics
1780
PDF(1228KB)
Effect of O/N Substitutive Doping on the Band Structure and Transport Properties of the zigzag Boron Nitride Narrow-Nanoribbons
CHEN Yu-Hang, ZHANG Chao-Min, WU Jian-Bao, LIN Qi
By performing first-principles calculations and non-equilibrium Green's function, the energy band structure, transmissio...
2012, 28 (03): 567-572.
DOI: 10.3866/PKU.WHXB201112071
4487
Abstract/Metrics
1308
PDF(819KB)
Molecular Dynamics Simulation of the Desalination of Sea Water by a Forward Osmosis Membrane Containing Charged Carbon Nanotubes
LI Hai-Lan, JIA Yu-Xiang, HU Yang-Dong
Spurred by traditional membrane science in which a charged membrane can improve separation efficiency, a forward osmosis...
2012, 28 (03): 573-577.
DOI: 10.3866/PKU.WHXB201112191
5996
Abstract/Metrics
2318
PDF(1418KB)
ELECTROCHEMISTRY AND NEW ENERGY
Preparation of Single-Crystalline TiO
2
Nanowires and Their Application in Flexible Dye-Sensitized Solar Cells
XIAO Yao-Ming, WU Ji-Huai, YUE Gen-Tian, LIN Jian-Ming, HUANG Miao-Liang, FAN Le-Qing, LAN Zhang
Single-crystalline TiO2 nanowires (SCTNWs) were prepared using a hydrothermal growth method. The (010) crystal face of t...
2012, 28 (03): 578-584.
DOI: 10.3866/PKU.WHXB201201032
6032
Abstract/Metrics
3320
PDF(1645KB)
Electrochemical Properties of an Agarose-Based Magnetic Polymer Electrolyte in Dye-Sensitized Solar Cells
GUO Xue-Yi, YI Peng-Fei, WANG Wei-Jia, YANG Ying
In order to enhance the dispersion of Fe3O4 nanoparticles in polymer electrolytes for dyesensitized solar cell (DSSC) ap...
2012, 28 (03): 585-590.
DOI: 10.3866/PKU.WHXB201112302
4507
Abstract/Metrics
1788
PDF(1219KB)
Photovoltaic Performance of Dye-Sensitized Solar Cells Based on Al-Doped TiO
2
Thin Films
LIU Qiu-Ping, HUANG Hui-Juan, ZHOU Yang, DUAN Yan-Dong, SUN Qing-Wen, LIN Yuan
Al-doped TiO2 thin films were synthesized by the hydrothermal method. To prepare a working electrode, a TiO2 or AlTiO2 s...
2012, 28 (03): 591-595.
DOI: 10.3866/PKU.WHXB201112161
5763
Abstract/Metrics
1883
PDF(842KB)
Preparation and Electrochemical Performance of Aminoanthraquinone Derivative as Cathode Materials in Rechargeable Lithium Batteries
ZHAO Lei, WANG An-Bang, WANG Wei-Kun, YU Zhong-Bao, CHEN Shi, YANG Yu-Sheng
Two novel organic compounds, 5-amino-2,3-dihydro-1,4-dyhydroxy anthraquinone (ADDAQ) and 5-amino-1,4-dyhydroxy anthraqui...
2012, 28 (03): 596-602.
DOI: 10.3866/PKU.WHXB201112261
4535
Abstract/Metrics
1882
PDF(663KB)
Electrocatalytic Performance and Pseudo-Capacitive Characteristics of Modified Graphite Electrode with Fe
3+
/Fe
2+
in H
2
SO
4
Solution
SUN Ya-Ping, FAN Xin-Zhuang, LU Yong-Hong, XU Hai-Bo
The electrocatalytic performance and pseudocapacitive characteristics of a modified graphite electrode (MGE) with Fe3+/F...
2012, 28 (03): 603-608.
DOI: 10.3866/PKU.WHXB201112272
4496
Abstract/Metrics
1795
PDF(1729KB)
Carbon Nanotube/Polyaniline/Graphene Composite Paper and Its Electrochemical Capacitance Behaviors
JIN Yu, CHEN Hong-Yuan, CHEN Ming-Hai, LIU Ning, LI Qing-Wen
Flexible carbon nanotube/polyaniline/graphene (CNT/PANI/GR) composite papers were prepared by electrochemical polymeriza...
2012, 28 (03): 609-614.
DOI: 10.3866/PKU.WHXB201201162
8556
Abstract/Metrics
3707
PDF(969KB)
Development and Application of Virtual Potentiostat on Electrochemical Corrosion Measurement
SUN Feng-Juan WANG Jia
A potentiostat is a fundamental piece of equipment for the study of corrosion electrochemistry and research into the app...
2012, 28 (03): 615-622.
DOI: 10.3866/PKU.WHXB201201101
4460
Abstract/Metrics
2224
PDF(2899KB)
Corrosion Inhibition Performance of Carbon Steel in Brine Solution Containing H
2
S and CO
2
by Novel Gemini Surfactants
ZHAO Jing-Mao, LI Jun
A series of novel gemini surfactants containing hydroxyl group have been synthesized including 1,3-bis(dodecyl dimethyl ...
2012, 28 (03): 623-629.
DOI: 10.3866/PKU.WHXB201112293
4702
Abstract/Metrics
1771
PDF(583KB)
Hydrothermal Synthesis and Amperometric Determination of Hydrogen Peroxide of Highly-Dispersed MnO
2
Nanofibers
HE Sai-Nan, HU Cai-Yuan, XIAO Ge, ZHENG Hua-Jun
A high dispersed nanofiber cryptomelane-type manganese dioxide was synthesized by a facile hydrothermal reduction route....
2012, 28 (03): 630-634.
DOI: 10.3866/PKU.WHXB201112214
4144
Abstract/Metrics
1832
PDF(1590KB)
CATALYSIS AND SURFACE SCIENCE
Preparation and Visible Light Photocatalytic Activity of Fe-N Codoped TiO
2
Nanotube Arrays
WU Qi, SU Yu-Feng, SUN Lan, WANG Meng-Ye, WANG Ying-Ying, LIN Chang-Jian
Fe-N codoped TiO2 nanotube arrays were fabricated by anodization of Ti, followed by wet immersion and annealing post-tre...
2012, 28 (03): 635-640.
DOI: 10.3866/PKU.WHXB201112231
4974
Abstract/Metrics
2436
PDF(1650KB)
Effect of Fluoride Doping and Adsorption on the Photocatalytic Activity of TiO
2
GAO Yue-Jun, XU Yi-Ming
It has been reported that bulk doping or surface modification of TiO2 with fluoride ions can enhance its photocatalytic ...
2012, 28 (03): 641-646.
DOI: 10.3866/PKU.WHXB201201161
6217
Abstract/Metrics
2685
PDF(558KB)
Preparation, Characterization and Photocatalytic Performance of Ag/BiOX (X=Cl, Br, I) Composite Photocatalysts
YU Chang-Lin, CAO Fang-Fang, SHU Qing, BAO Yu-Long, XIE Zhi-Peng, YU Jimmy C, YANG Kai
A series of novel bismuth oxyhalide Ag/BiOX (X=Cl, Br, I) composite photocatalysts were synthesized by a solution-based ...
2012, 28 (03): 647-653.
DOI: 10.3866/PKU.WHXB201201051
6362
Abstract/Metrics
2799
PDF(1768KB)
Controllable Synthesis and Photocatalytic Performance of Bismuth Phosphate Nanorods
LIU Yan-Fang, MA Xin-Guo, YI Xin, ZHU Yong-Fa
BiPO4 nanorods with controlled morphologies were fabricated using a hydrothermal method. The photocatalytic activity of ...
2012, 28 (03): 654-660.
DOI: 10.3866/PKU.WHXB201112232
6149
Abstract/Metrics
2657
PDF(1747KB)
Effect of Citric Acid on the Hydrodesulfurization Performance of Ni
2
P/TiO
2
-Al
2
O
3
Catalyst
SONG Hua, ZHANG Yong-Jiang, SONG Hua-Lin, DAI Min
A TiO2-Al2O3 complex support was prepared by the sol-gel method. Nickel phosphide catalyst, Ni2P/TiO2-Al2O3, with citric...
2012, 28 (03): 661-666.
DOI: 10.3866/PKU.WHXB201112291
4503
Abstract/Metrics
1677
PDF(645KB)
Effect of Calcination Temperature of Monodispersed SiO
2
on the Performance of Rh-Based Catalysts for CO Hydrogenation
YU Jun, MAO Dong-Sen, GUO Qiang-Sheng, HAN Lu-Peng, LU Guan-Zhong
Based on a comparison of catalytic performances of Rh-Mn-Li/SiO2 catalysts, in which commercial SiO2 and monodispersed S...
2012, 28 (03): 667-673.
DOI: 10.3866/PKU.WHXB201112221
4055
Abstract/Metrics
1584
PDF(881KB)
Modified Bauxite Supported Ruthenium Catalysts for Hydrogen Evolution in the Water-Gas Shift Reaction
JIANG Li-Long, MA Yong-De, CAO Yan-Ning, YANG Yang, WEI Ke-Mei
Hydrothermally treated bauxite with high surface area was used as a ruthenium-based catalyst support. A series of Ru/bau...
2012, 28 (03): 674-680.
DOI: 10.3866/PKU.WHXB201112271
3754
Abstract/Metrics
1897
PDF(541KB)
Promotional Effect of Cerium Oxide on the Catalytic Properties of Ce-Mn-Ti-O Catalysts for Selective Catalytic Reduction of NO
ZHUANG Ke, QIU Jing, XU Bo-Lian, FAN Yi-Ning
The promotional effect of cerium oxide on the catalytic properties of Ce-Mn-Ti-O composite oxide catalysts prepared by t...
2012, 28 (03): 681-685.
DOI: 10.3866/PKU.WHXB201111141
4958
Abstract/Metrics
1723
PDF(505KB)
Production of 5-Hydroxymethylfurfural from Inulin Catalyzed by Sulfonated Amorphous Carbon in an Ionic Liquid
GONG Yan-Yan, LIU Min, JIA Song-Yan, FENG Jian-Ping, SONG Chun-Shan, GUO Xin-Wen
The production of 5-hydroxylmethylfurfural (HMF) from inulin over sulfonated amorphous carbon was studied in an ionic li...
2012, 28 (03): 686-692.
DOI: 10.3866/PKU.WHXB201112292
4582
Abstract/Metrics
2326
PDF(1597KB)
Solution-Phase Synthesis of Superhydrophobic Copper Surface with Dual Scale Roughness
XU Fei-Yan, LIU Li-Jun, QIN Jian, LIU Bei, MEI Shuang
A copper sulfide film with dual scale micro- and nano-structured roughness was constructed on copper foil via a facile s...
2012, 28 (03): 693-698.
DOI: 10.3866/PKU.WHXB201201111
5162
Abstract/Metrics
Supporting Info
1972
PDF(1406KB)
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
Optical Properties and Energy Transfer of Sr
1-
x
-
y
MgP
2
O
7
:
x
Ce
3+
,
y
Tb
3+
Phosphor under Ultraviolet Excitation
DOU Xi-Hua, ZHAO Wei-Ren, SONG En-Hai, MIN Hua-Chu
Sr1-x-yMgP2O7:xCe3+,yTb3+ phosphors were successfully synthesized by a solid-state reaction method. The crystal structur...
2012, 28 (03): 699-705.
DOI: 10.3866/PKU.WHXB201201121
5719
Abstract/Metrics
2186
PDF(1338KB)
Tunable White Emitting in Ternary Ce/Tb/Sm Codoped CaO-B
2
O
3
-SiO
2
Glasses
QIAO Yin-Po, ZHU Zhen-Feng, ZHANG Yan-Bin, LIU Dian-Guang, WANG Bing-Qing, ZHANG Zhi-Chun
A series of luminescent glasses composed of CaO-B2O3-SiO2 codoped with samarium oxide (Sm2O3), cerium oxide (CeO2), and ...
2012, 28 (03): 706-710.
DOI: 10.3866/PKU.WHXB201112162
5750
Abstract/Metrics
1826
PDF(691KB)
PHYSICAL CHEMISTRY OF MATERIALS
In situ
Preparation of Epoxy-Based Conductive Nanocomposites Containing Nanosilver-Decorated Carbon Nanotubes
LIU Kong-Hua, LIU Lan, GAO Hong, LUO Yuan-Fang, JIA De-Min
Nanosilver-decorated carbon nanotubes (CNTs) were prepared by introducing CNTs and silver acetate into an epoxy-imidazol...
2012, 28 (03): 711-719.
DOI: 10.3866/PKU.WHXB201112213
4841
Abstract/Metrics
1572
PDF(1002KB)
Designed Synthesis and Crystallization of Fe-Al-EU-1 Zeolites Containing Framework-Iron
YANG Dong-Hua, ZHAO Jun-Fu, ZHANG Jun-Liang, DOU Tao, WU Zhong-Hua, CHEN Zhong-Jun
Highly crystalline Fe-Al-EU-1 zeolites were hydrothermally synthesized in a HMBr2-Na2OAl2O3- SiO2-Fe2O3-H2O system by us...
2012, 28 (03): 720-728.
DOI: 10.3866/PKU.WHXB201201031
4605
Abstract/Metrics
2058
PDF(2537KB)
Preparation and Magnetic Properties of La-Co Co-Doped M-Type Strontium Ferrite Nanofibres
DAI Jian-Feng, GAO Hui-Fang, WANG Jun-Hong, FU Bi
Polyethylene pyrrole (PVP) and metal nitrate were used as precursors, La and Co co-doped M-type strontium ferrites Sr1-x...
2012, 28 (03): 729-732.
DOI: 10.3866/PKU.WHXB201112211
4470
Abstract/Metrics
1597
PDF(743KB)
Efficient Blue Emission from Small-Molecule Organosilicon Monomer
N
-(3-Trimethoxysilylethyl)ethylenediamine
XU Zou-Ming, WANG Yu-Xia, DAI Peng, KONG Wei-Quan
We investigated the electronic structure, photophysical properties, and thermal stability of N- (3-trimethoxysilylethyl)...
2012, 28 (03): 733-738.
DOI: 10.3866/PKU.WHXB201201131
4751
Abstract/Metrics
1531
PDF(1663KB)