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Acta Phys. -Chim. Sin.
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中文
Current Issue
2011 Vol. 27,No. 06
Published: 31 May 2011
Current column
Table of Contents
REVIEW
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
THEORETICAL AND COMPUTATIONAL CHEMISTRY
ELECTROCHEMISTRY AND NEW ENERGY
SOFT MATTER
CATALYSIS AND SURFACE SCIENCE
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
BIOPHYSICAL CHEMISTRY
PHYSICAL CHEMISTRY OF MATERIALS
Table of Contents
Cover and Table of Contents for Vol.27 No. 6
2011, 27 (06): 0.
1875
Abstract/Metrics
1795
PDF(5115KB)
REVIEW
Morphology-Controllable Noble Metal Nanoparticles: Synthesis, Optical Property and Growth Mechanism
CAO Yan-Li, DING Xiao-Long, LI Hong-Chen, YI Zhao-Guang, WANG Xiang-Fu, ZHU Jie-Jun, KAN Cai-Xia
In the past two decades, noble metal nanoparticles have been the focus of intensive research due to their unique propert...
2011, 27 (06): 1273-1286.
DOI: 10.3866/PKU.WHXB20110604
7837
Abstract/Metrics
7431
PDF(1067KB)
p
-Type and
pn
-Type Dye-Sensitized Solar Cells
SHI Ji-Fu, XU Gang, MIAO Lei, XU Xue-Qing
In view of the scientific issues lying behind (1) the p-type dye-sensitized solar cells (DSCs) (the limited dye loading ...
2011, 27 (06): 1287-1299.
DOI: 10.3866/PKU.WHXB20110603
6535
Abstract/Metrics
3731
PDF(867KB)
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
Solubilization of Polyalcohol in Supercritical CO
2
Microemulsion
ZHOU Dan, YU Wen, XU Qin-Qin, YIN Jian-Zhong
We mainly investigated the phase behavior of the AOT (sodium bis-(2-ethylhexyl) sulfosuccinate/CO2/ethanol/water quatern...
2011, 27 (06): 1300-1304.
DOI: 10.3866/PKU.WHXB20110616
5980
Abstract/Metrics
1644
PDF(672KB)
Memory Effects of Structure I and II Gas Hydrates
LIU Yu, ZHAO Jia-Fei, GUO Chang-Song, SONG Yong-Chen, LIU Wei-Guo, CHENG Chuan-Xiao, YE Chen-Cheng, XUE Kai-Hua
We studied the reformation processes for structure I (sI) (methane, carbon dioxide) and structure II (sII) (propane) gas...
2011, 27 (06): 1305-1311.
DOI: 10.3866/PKU.WHXB20110635
5461
Abstract/Metrics
1937
PDF(1328KB)
Thermodynamic Analysis of Silicothermic Reduction Zinc Oxide in Vacuum
YU Chao, QIU Ke-Qiang, CHEN Qi-Yuan
The Gibbs free energy of a vacuum silicothermic reduction for the production of metallic zinc was calculated and analyze...
2011, 27 (06): 1312-1318.
DOI: 10.3866/PKU.WHXB20110524
5219
Abstract/Metrics
2170
PDF(859KB)
Crystal Structure and Thermochemical Properties of Bis(
n
-Nonylammonium) Tetrachlorozincate
LU Dong-Fei, DI You-Ying, HE Dong-Hua
We synthesized crystalline bis(n-nonylammonium) tetrachlorozincate (C9H19NH3)2ZnCl4(s) (C9Zn(s)). X-ray single crystal d...
2011, 27 (06): 1319-1324.
DOI: 10.3866/PKU.WHXB20110526
4374
Abstract/Metrics
1374
PDF(733KB)
Reaction Kinetics of the Intermediate in Synthesis of LiCoPO
4
by Solid-State Reaction
HUANG Ying-Heng, TONG Zhang-Fa, WEI Teng-You, LI Bin
A precursor NH4CoPO4 containing Li+ was synthesized using a low temperature solid-state reaction with ammonium dihydroge...
2011, 27 (06): 1325-1334.
DOI: 10.3866/PKU.WHXB20110507
5673
Abstract/Metrics
1753
PDF(780KB)
THEORETICAL AND COMPUTATIONAL CHEMISTRY
Theoretical Investigation of Chemically Enhanced Mechanism of SERS Spectroscopy for Ag/MPH/TiO
2
System
SUN Lei, BAI Fu-Quan, ZHANG Hong-Xing
A chemically enhanced mechanism of surface-enhanced Raman scattering (SERS) spectroscopy was investigated using density ...
2011, 27 (06): 1335-1340.
DOI: 10.3866/PKU.WHXB20110602
5731
Abstract/Metrics
2102
PDF(714KB)
Molecular Dynamics Simulation of the Influence of Crystal Orientation on the Formation Probability of Silver Monoatomic Chains during Stretching
LIU Yun-Hong, GAO Ya-Jun, WANG Fen-Ying, ZHU Tie-Min, ZHAO Jian-Wei
We carried out molecular dynamics simulations using an embedded atom method to investigate the mechanical properties and...
2011, 27 (06): 1341-1345.
DOI: 10.3866/PKU.WHXB20110605
5068
Abstract/Metrics
2077
PDF(2554KB)
Structures and Properties of NFeN and the Reaction Potential Energy Curves
CAI Yue-Piao, WANG Chao-Jie
The geometrical structures, electronic structures, energetics and vibrational frequencies of bent and linear NFeN molecu...
2011, 27 (06): 1346-1356.
DOI: 10.3866/PKU.WHXB20110522
6244
Abstract/Metrics
Supporting Info
2223
PDF(952KB)
Quasi-Classical Trajectory Study on the Reaction Kinetics of Li+HF(
ν
=0,
j
=0)→LiF+H
LI Ya-Min, SUN Ping
A theoretical study of the Li+HF (ν=0, j=0)→LiF+H reaction was carried out using the quasi- classical trajectory...
2011, 27 (06): 1357-1360.
DOI: 10.3866/PKU.WHXB20110625
4787
Abstract/Metrics
1854
PDF(630KB)
Quantum Chemistry Study on the Stable Structures of C
2
H
5
OH(H
2
O)
n
(
n
=1-9) Clusters
HAN Guang-Zhan, ZHANG Chao, GAO Ji-Gang, QIAN Ping
We studied C2H5OH(H2O)n (n=1-9) clusters using density functional theory (DFT) at the B3LYP/6-311++G(2d,2p)//B3LYP/6-311...
2011, 27 (06): 1361-1371.
DOI: 10.3866/PKU.WHXB20110612
6112
Abstract/Metrics
2559
PDF(1417KB)
Structure and Kinetics of Hydrogen Bonds in Aqueous Glucose Solutions
CHEN Cong, LI Wei-Zhong, SONG Yong-Chen, WENG Lin-Dong
Hydrogen bonding structure and kinetics in aqueous glucose solutions with different concentrations were studied using th...
2011, 27 (06): 1372-1378.
DOI: 10.3866/PKU.WHXB20110626
6542
Abstract/Metrics
Supporting Info
2762
PDF(895KB)
Molecular Dynamics Simulation of Binding Energies, Mechanical Properties and Energetic Performance of the RDX/BAMO Propellant
LI Miao-Miao, SHEN Rui-Qi, LI Feng-Sheng
Molecular dynamics (MD) simulations were performed to investigate the well-known energetic material cyclotrimethylene tr...
2011, 27 (06): 1379-1385.
DOI: 10.3866/PKU.WHXB20110601
4643
Abstract/Metrics
2015
PDF(853KB)
Reaction Mechanism for Propylene Carbonate Prepared by KI/NH
3
Catalysis from Propylene Oxide and CO
2
DENG Ping, ZHANG Hai-Dong, JIANG Jun-Hao, JIANG Qi-Hua
The reaction mechanisms for the preparation of propylene carbonate (PC) from propylene oxide (PO) and CO2 in the absence...
2011, 27 (06): 1386-1392.
DOI: 10.3866/PKU.WHXB20110615
6949
Abstract/Metrics
2152
PDF(867KB)
Theoretical Study of Ethylene Dimerization on the Ga/HZSM-5 Zeolite
LI Jing-Hong, ZHOU Dan-Hong, REN Jue
We studied the reaction mechanisms of ethylene dimerization to 1-butene on Ga/HZSM-5 and Al/HZSM-5 zeolite catalysts by ...
2011, 27 (06): 1393-1399.
DOI: 10.3866/PKU.WHXB20110631
5608
Abstract/Metrics
1510
PDF(674KB)
Monte Carlo Investigation into C4 Hydrocarbon Adsorption in FAU, BEA and LTL Zeolites
ZHAI Dong, ZHAO Liang, PAN Hui-Fang, ZHAO Zhen, DUAN Ai-Jun, GAO Jin-Sen, CHEN Yu
The adsorption of 1,3-butadiene, 1-butylene, and n-butane in FAU, BEA, and LTL zeolites was investigated by Monte Carlo ...
2011, 27 (06): 1400-1406.
DOI: 10.3866/PKU.WHXB20110614
6947
Abstract/Metrics
1990
PDF(868KB)
Prediction of Hepatitis C Virus Non-Structural Proteins 5B Polymerase Inhibitors Using Machine Learning Methods
Lü Wei, XUE Ying
Non-structural proteins 5B (NS5B) play an important role in protein maturation and gene replication as an RNA dependent ...
2011, 27 (06): 1407-1416.
DOI: 10.3866/PKU.WHXB20110608
5510
Abstract/Metrics
Supporting Info
1949
PDF(874KB)
ELECTROCHEMISTRY AND NEW ENERGY
Preparation and Electrocatalytic Performance of Ni-Mo/LaNi
5
Porous Composite Electrode toward Hydrogen Evolution Reaction
WANG Sen-Lin, ZHANG Yi
A Ni-Mo/LaNi5 porous composite electrode was successfully prepared by composite electrodeposition and dissolution with a...
2011, 27 (06): 1417-1423.
DOI: 10.3866/PKU.WHXB20110510
5426
Abstract/Metrics
1882
PDF(988KB)
Preparation of Manganese Dioxide for Electrodes of Supercapacitors Based on Duplex Stainless Steel
LI Zhao, XU Ju-Liang, LI Xu-Yan, GUO Li-Fang, LI Jin, JIANG Yi-Ming
A nano-structured manganese dioxide thin film was electrochemically deposited onto a 2304 duplex stainless steel (DSS) e...
2011, 27 (06): 1424-1430.
DOI: 10.3866/PKU.WHXB20110611
5815
Abstract/Metrics
2507
PDF(929KB)
Capacitive Performance of Tunable Ordered Mesoporous Carbons in Organic and H
2
SO
4
Electrolytes
ZHOU Jin, LI Wen, XING Wei, ZHUO Shu-Ping
Ordered mesoporous carbon materials were prepared by doping boric acid using a hard- templating method. The capacitive p...
2011, 27 (06): 1431-1438.
DOI: 10.3866/PKU.WHXB20110634
4879
Abstract/Metrics
1743
PDF(1103KB)
Surfactant Carbonization to Synthesize a Fe
3
O
4
/C Composite and Its Electrochemical Performance
CHENG Feng, HUANG Ke-Long, LIU Su-Qin, FANG Xue-Song, ZHANG Xin
Oleic acid-capped α-Fe2O3 nanoparticles were initially prepared as precursors by a simple hydrothermal method. Fe3...
2011, 27 (06): 1439-1445.
DOI: 10.3866/PKU.WHXB20110607
5556
Abstract/Metrics
2647
PDF(1167KB)
Electrocrystallization of Pd-Ni Alloys on Glassy Carbon Electrode
YUE Jun-Pei, YANG Fang-Zu, TIAN Zhong-Qun, ZHOU Shao-Min
Using the Scharifker and Hills model and Heerman and Tarallo model, cyclic voltammetry and chronoamperometry were used t...
2011, 27 (06): 1446-1450.
DOI: 10.3866/PKU.WHXB20110620
5291
Abstract/Metrics
2300
PDF(570KB)
Electrosynthesis and Characterization of Metal Chelate Imprinted Poly-
o
-Phenylenediamine Films
WANG Lian-Yan, LU Feng, WU Fu-Quan, GU Ren-Ao, YAO Jian-Lin, ZHANG Hai-Lu, DENG Zong-Wu
Novel molecularly imprinted polymers (MIPs) were synthesized by the electrochemical polymerization of o-phenylenediamine...
2011, 27 (06): 1451-1456.
DOI: 10.3866/PKU.WHXB20110628
5349
Abstract/Metrics
2485
PDF(850KB)
Effect of Benzotriazole as Corrosion Inhibitor for Reinforcing Steel in Cement Mortar
SHI Jin-Jie, SUN Wei
The effects of benzotriazole (BTA) on the corrosion behavior of reinforcing steel in mortar specimens were studied by co...
2011, 27 (06): 1457-1466.
DOI: 10.3866/PKU.WHXB20110528
5108
Abstract/Metrics
1683
PDF(1390KB)
SOFT MATTER
Interaction between Gemini and DNA at the Air/Water Interface
KANG Xue-Li, CHEN Qi-Bin, SHANG Ya-Zhuo, LIU Hong-Lai
Monolayers may be obtained by an electrostatic force between cationic surfactants and anionic electrolyte deoxyribonucle...
2011, 27 (06): 1467-1473.
DOI: 10.3866/PKU.WHXB20110606
4756
Abstract/Metrics
1531
PDF(996KB)
CATALYSIS AND SURFACE SCIENCE
Adsorption Behavior and Thermodynamics of Iminodiacetic Acid-Type Material IDAA-PGMA/SiO
2
for Heavy Metal Ions and Rare Earth Ions
JIANG Gui-Ming, GAO Bao-Jiao, XU Wen-Mei, WANG Xiao-Hua
Glycidyl methacrylate (GMA) was grafted onto micron-sized silica gel particles and the grafted particles of PGMA/SiO2 we...
2011, 27 (06): 1474-1481.
DOI: 10.3866/PKU.WHXB20110529
5418
Abstract/Metrics
2662
PDF(2426KB)
Reduced Graphene Oxide-Modified Bi
2
WO
6
as an Improved Photocatalyst under Visible Light
YING Hong, WANG Zhi-Yong, GUO Zheng-Duo, SHI Zu-Jin, YANG Shang-Feng
A new and improved photocatalyst, reduced graphene oxide (RGO)-modified Bi2WO6 (Bi2WO6-RGO), was synthesized by a two-st...
2011, 27 (06): 1482-1486.
DOI: 10.3866/PKU.WHXB20110630
6178
Abstract/Metrics
2540
PDF(655KB)
Structure, Surface Properties and Photocatalytic Activity of TiO
2
and TiO
2
/SiO
2
Catalysts Prepared at Different pH Values
QIU Wei, REN Cheng-Jun, GONG Mao-Chu, HOU Yun-Ze, CHEN Yao-Qiang
TiO2 and SiO2-doped TiO2 (TiO2/SiO2) catalysts were prepared using aqueous solutions containing a TiOSO4 and/or SiO2 sol...
2011, 27 (06): 1487-1492.
DOI: 10.3866/PKU.WHXB20110621
5900
Abstract/Metrics
2632
PDF(763KB)
Higher Alcohol Synthesis from Bio-Syngas over Na-Promoted CuCoMn Catalyst
YE Tong-Qi, ZHANG Zhao-Xia, XU Yong, YAN Shi-Zhi, ZHU Jiu-Fang, LIU Yong, LI Quan-Xin
Na-promoted CuCoMn catalysts were successfully applied to the highly efficient production of higher alcohols from bio-sy...
2011, 27 (06): 1493-1500.
DOI: 10.3866/PKU.WHXB20110610
5430
Abstract/Metrics
1916
PDF(581KB)
Aromatization of Ethanol over Metal Modified P/HZSM-5 Zeolite
ZHANG Shao-Long, LI Bin, ZHANG Fei-Yue, MA Li, HAN Yan-Hua, FAN Min-Guang
A series of P/HZSM-5 zeolites modified with different metals (Cr, Co, Cu, Zn) were prepared by impregnation. The physico...
2011, 27 (06): 1501-1508.
DOI: 10.3866/PKU.WHXB20110517
5157
Abstract/Metrics
2201
PDF(705KB)
Preparation and Visible Light Photocatalytic Activity of Titanium Dioxide Coated Multiwalled Carbon Nanotubes
CONG Ye, QIN Yun, LI Xuan-Ke, DONG Zhi-Jun, YUAN Guan-Ming, CUI Zheng-Wei
Titanium dioxide coated multiwalled carbon nanotubes (MWCNTs) composite photocatalysts were prepared by the controllable...
2011, 27 (06): 1509-1515.
DOI: 10.3866/PKU.WHXB20110624
6693
Abstract/Metrics
2561
PDF(793KB)
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
Synthesis, Characterization and Properties of Electron Donor-Acceptor Complexes Based on 9,9-Diarylfluorene
OUYANG Mi, XIANG Wen-Qin, ZHANG Yu-Jian, JIN Yan-Xian, ZHANG Cheng
A series of fluorene-triphenylamine derivatives containing an electron donor-acceptor (D-A) structure based on 9,9-diary...
2011, 27 (06): 1516-1524.
DOI: 10.3866/PKU.WHXB20110609
6035
Abstract/Metrics
2791
PDF(4552KB)
BIOPHYSICAL CHEMISTRY
Microcalorimetric Study of the Influence of Extracellular NaCl Concentration on the Growth Metabolism of
Halobacterium halobium
ZENG Chi1,* ZHU Jian-Yu
ZENG Chi, ZHU Jian-Yu
Microcalorimetry was used to study the influence of extracellular NaCl concentration on the growth metabolism of Halobac...
2011, 27 (06): 1525-1530.
DOI: 10.3866/PKU.WHXB20110618
5005
Abstract/Metrics
1565
PDF(848KB)
PHYSICAL CHEMISTRY OF MATERIALS
Influence of Deposition Temperature on the SiN
x
:H Film Prepared by Plasma Enhanced Chemical Vapor Deposition
WEN Zhen-Li, CAO Xiao-Ning, ZHOU Chun-Lan, ZHAO Lei, LI Hai-Ling, WANG Wen-Jing
Hydrogenated silicon nitride films were prepared on the p-type polished silicon substrates by the direct plasma enhanced...
2011, 27 (06): 1531-1536.
DOI: 10.3866/PKU.WHXB20110632
5475
Abstract/Metrics
2787
PDF(976KB)
LiMn(BH
4
)
3
/2LiCl Composite Synthesized by Reactive Ball-Milling and Its Dehydrogenation Properties
FANG Fang, LI Yong-Tao, SONG Yun, ZHA Jun, ZHAO Bin, SUN Da-Lin
A LiMn(BH4)3/2LiCl composite was prepared by reactive ball-milling a mixture of LiBH4 and MnCl2, and its dehydrogenation...
2011, 27 (06): 1537-1542.
DOI: 10.3866/PKU.WHXB20110617
5563
Abstract/Metrics
1744
PDF(804KB)
Synthesis and Raman Property of Porous Jujube-Like Cu
2
O Hierarchy Structure
SUN Du, YIN Peng-Gang, GUO Lin
Structural engineering of nanocrystals is of great importance to control the properties of semiconductor oxides. Here, w...
2011, 27 (06): 1543-1550.
DOI: 10.3866/PKU.WHXB20110619
5290
Abstract/Metrics
3336
PDF(732KB)