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Acta Phys. -Chim. Sin.
Acta Phys. -Chim. Sin.
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中文
Current Issue
2013 Vol. 29,No. 09
Published: 28 August 2013
Current column
Table of Contents
COMMUNICATION
REVIEW
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
THEORETICAL AND COMPUTATIONAL CHEMISTRY
ELECTROCHEMISTRY AND NEW ENERGY
SOFT MATTER
CATALYSIS AND SURFACE SCIENCE
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
PHYSICAL CHEMISTRY OF MATERIALS
Table of Contents
Cover and Table of Contents for Vol.29 No. 9
2013, 29 (09): 0.
1004
Abstract/Metrics
2114
PDF(6641KB)
COMMUNICATION
Synthesis of Ternary Hybrid TiO
2
-SiO
2
-POM Catalysts and Its Application in Degrading Rhodamine B under Visible Light Illumination
WANG Xiao-Xia, XU Hua-Long, SHEN Wei, RUHLMANN Laurent, QIN Feng, SORGUES Sébastien, COLBEAU-JUSTIN Christophe
Ternary hybrid TiO2-SiO2-polyoxometalates (POMs) synthesized by stepped sol-gel method exhibit remarkable efficiency in ...
2013, 29 (09): 1837-1841.
DOI: 10.3866/PKU.WHXB201307024
3223
Abstract/Metrics
Supporting Info
1985
PDF(1092KB)
REVIEW
Research Progress of the Trp-Cage Formation and Its Folding Mechanism
WU Xiao-Min, YUAN Xiao-Hui, XUE Shu-Lei, ZHA Ling-Sheng, WANG Guang-Li, ZHANG Hai-Jun
Protein folding is considered one of the most important topics in structural biology. An in-depth understanding of the f...
2013, 29 (09): 1842-1850.
DOI: 10.3866/PKU.WHXB201307011
3968
Abstract/Metrics
2069
PDF(941KB)
TiO
2
/Dye/Electrolyte Interface Modification for Dye-Sensitized Solar Cells
LI Jing-Zhe, KONG Fan-Tai, WU Guo-Hua, HUANG Yang, CHEN Wang-Chao, DAI Song-Yuan
Dye-sensitized solar cell (DSC), a new type of solar cell, have attracted widespread attention since they were first rep...
2013, 29 (09): 1851-1864.
DOI: 10.3866/PKU.WHXB201306172
3466
Abstract/Metrics
2286
PDF(1156KB)
Chemical Synthesis and Applications of Graphitic Carbon Nitride
ZHANG Jin-Shui, WANG Bo, WANG Xin-Chen
Recently, polymeric semiconductor graphitic carbon nitride (g-C3N4) has been widely used in fields related to energy and...
2013, 29 (09): 1865-1876.
DOI: 10.3866/PKU.WHXB201306173
14131
Abstract/Metrics
10517
PDF(2497KB)
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
Molecular Recognition of Glycoconjugated Porphyrin with Chiral Amino Acid Methyl Ester
YANG Le-Le, LIU Jia, LI Yue, LIU Kun, RUAN Wen-Juan
Three atropisomeric tetrasaccharide-substituted zinc porphyrins (αβαβ-Zn-A, ααβ&b...
2013, 29 (09): 1877-1885.
DOI: 10.3866/PKU.WHXB201306143
3185
Abstract/Metrics
1387
PDF(730KB)
Photodissociation Dynamics of Carbonyl Sulfide in Helium Droplets
ZHANG Cui-Mei, ZHANG Zhi-Guo, HUANG Cun-Shun, ZHANG Qun, CHEN Yang
The photodissociation dynamics of carbonyl sulfide (OCS) in helium droplets was studied using a velocity-map-imaging tec...
2013, 29 (09): 1886-1890.
DOI: 10.3866/PKU.WHXB201306191
2525
Abstract/Metrics
1032
PDF(545KB)
Evaluation of the Application of Hydrogen Bonding Criteria to DMSO Aqueous Solution
ZHANG Ning, LI Wei-Zhong, CHEN Cong, ZUO Jian-Guo
Geometric and energetic criteria have been used to analyze the hydrogen bonding statistics and dynamics of aqueous solut...
2013, 29 (09): 1891-1899.
DOI: 10.3866/PKU.WHXB201307121
3834
Abstract/Metrics
1510
PDF(1096KB)
THEORETICAL AND COMPUTATIONAL CHEMISTRY
Study of Hydrogen Adsorption on Pt and Pt-Based Bimetallic Surfaces by Density Functional Theory
GAO Zi-Feng, CHEN Hao, QI Sui-Tao, YI Chun-Hai, YANG Bo-Lun
The surface energies and surface relaxation of Pt(100), (110), and (111) surfaces, as well as the hydrogen adsorption be...
2013, 29 (09): 1900-1906.
DOI: 10.3866/PKU.WHXB201307021
4579
Abstract/Metrics
3324
PDF(914KB)
Density Functional Theory Study on the Adsorption of Dodecylthiol on Au(111) Surface
FAN Xiao-Li, RAN Run-Xin, ZHANG Chao, YANG Yong-Liang
By applying the first-principles methods based on density functional theory and the slab model, we have studied the non-...
2013, 29 (09): 1907-1915.
DOI: 10.3866/PKU.WHXB201307022
3633
Abstract/Metrics
1639
PDF(2055KB)
Adsorption and Decarbonylation Reaction of Furfural on Pt(111) Surface
NI Zhe-Ming, XIA Ming-Yu, SHI Wei, QIAN Ping-Ping
The reaction mechanismof furan formation during decarbonylation of furfural on the Pt(111) plane was investigated by den...
2013, 29 (09): 1916-1922.
DOI: 10.3866/PKU.WHXB201307101
4011
Abstract/Metrics
1688
PDF(1924KB)
Hydrolysis Reaction Mechanismof 2, 4-Dichlorophenoxy Acetic Acid Metabolism
LI Jia, XU Wen-Li, HU Jing, LING Min, YAO Jian-Hua
2,4-Dichlorophenoxy acetic acid (2,4-D) is a herbicide and plant growth regulator that is widely applied inagriculture.M...
2013, 29 (09): 1923-1930.
DOI: 10.3866/PKU.WHXB201306281
5291
Abstract/Metrics
Supporting Info
1825
PDF(2533KB)
Molecular Dynamics Simulation of a Nanosized Device
SUN Wei, ZHANG Jin-Jiang, ZHAO Jian-Wei
Molecular dynamics (MD) simulations have been widely used for molecular systems; however, it is difficult to simulate na...
2013, 29 (09): 1931-1936.
DOI: 10.3866/PKU.WHXB201305311
3479
Abstract/Metrics
1340
PDF(1103KB)
Radicals Created fromthe Reactions of 2’-Deoxyadenosine-5’-monophosphate with Hydroxyl Radical
HOU Ruo-Bing, TANG Zong-Xiang, FAN You-Jun, YI Xiang-Hui, WANG Bei-Bei, SUN Yan-Li
The radicals generated fromreactions of 2'-deoxyadenosine-5'-monophosphate (dAMP) with an HO· radical were studie...
2013, 29 (09): 1937-1944.
DOI: 10.3866/PKU.WHXB201307023
3719
Abstract/Metrics
Supporting Info
1477
PDF(883KB)
Prediction of HLA-A
*
0201 Restricted Cytotoxic T Lymphocyte Epitopes Based on High-Dimensional Descriptor Nonlinear Screening
HAN Na, YUAN Zhe-Ming, CHEN Yuan, DAI Zhi-Jun, WANG Zhi-Ming
Determining highly active epitopes of the cytotoxic T lymphocyte (CTL) is essential for the computational design of pept...
2013, 29 (09): 1945-1953.
DOI: 10.3866/PKU.WHXB201306182
2619
Abstract/Metrics
1115
PDF(652KB)
ELECTROCHEMISTRY AND NEW ENERGY
Influence of the Potential on the Charge-Transfer Rate Constant of Photooxidation of Water over
α
-Fe
2
O
3
and Ti-Doped
α
-Fe
2
O
3
SHANGGUAN Peng-Peng, TONG Shao-Ping, LI Hai-Li, LENG Wen-Hua
It has been reported that applying a certain external anodic potential over un-doped (α-Fe2O3) and Ti-doped &alpha...
2013, 29 (09): 1954-1960.
DOI: 10.3866/PKU.WHXB201306261
3037
Abstract/Metrics
1724
PDF(1142KB)
Numerical Simulation of Discharge Process and Failure Mechanisms of Zinc Electrode
SONG Hui, XU Xian-Zhi, LI Fen
Zinc-air battery is a high-power electrochemical system. Experimental data indicate that material usage decreases signif...
2013, 29 (09): 1961-1974.
DOI: 10.3866/PKU.WHXB201306144
3298
Abstract/Metrics
1580
PDF(1985KB)
Increasing Specific Surface Area of (110)-Oriented ZnO Nanosheets by Sulfuration-Oxidization Treatment for Photoelectrode Applications
WEI Yu-Long, BAO Chun-Xiong, GAO Hao, HUANG Huan, YU Tao, ZOU Zhi-Gang
To increase the specific surface area of ZnOnanosheets, a sulfuration and oxidization treatment was introduced. First, Z...
2013, 29 (09): 1975-1980.
DOI: 10.3866/PKU.WHXB201306212
3366
Abstract/Metrics
1514
PDF(1281KB)
Hierarchically Porous Carbon/DMcT/PEDOT-PSS Ternary Composite as a Cathode Material for Lithium-Ion Battery
CHI Ting-Yu, LI Han, WANG Geng-Chao
Activated hierarchically porous carbon (aHPC) was fabricated by calcination, etching and KOH activation using phenol-for...
2013, 29 (09): 1981-1988.
DOI: 10.3866/PKU.WHXB201306272
4856
Abstract/Metrics
1621
PDF(1079KB)
Synthesis of Na
2
MnPO
4
F/C with Different Carbon Sources and Their Performances as Cathode for Lithium Ion Battery
ZHONG Yan-Jun, LI Jun-Tao, WU Zhen-Guo, ZHONG Ben-He, GUO Xiao-Dong, HUANG Ling, SUN Shi-Gang
Na2MnPO4F/C composites were synthesized by wet ball milling and in situ pyrolytic carbon coating. Stearic acid, citric a...
2013, 29 (09): 1989-1997.
DOI: 10.3866/PKU.WHXB201306181
7683
Abstract/Metrics
2036
PDF(2451KB)
Organic Electrolytes for Activated Carbon-Based Supercapacitors with Flexible Package
HUANG Bo, SUN Xian-Zhong, ZHANG Xiong, ZHANG Da-Cheng, MA Yan-Wei
We fabricated activated carbon (AC)-based supercapacitors encased in flexible packaging using a novel organic electrolyt...
2013, 29 (09): 1998-2004.
DOI: 10.3866/PKU.WHXB201307031
4700
Abstract/Metrics
2949
PDF(792KB)
SOFT MATTER
Synthesis and Gelation Properties of Cholesterol-Based New Low-Molecular-Mass Gelators
XUE Min, MIAO Qing, FANG Yu
Three novel dimeric cholesteryl-based low-molecular-mass gelators (LMMGs), which have the structure A(LS)2, were designe...
2013, 29 (09): 2005-2012.
DOI: 10.3866/PKU.WHXB201306142
3243
Abstract/Metrics
1597
PDF(2530KB)
Impact of the Addition of Gum Arabic on the Interface Dilational Properties of Gemini Surfactants
XIONG Ke-Jie, SHU Zhan-Xia, NIE Hai-Yu, DU Feng-Pei
We studied the impact of the addition of Gum Arabic on the dilational properties of Gemini surfactants. The investigatio...
2013, 29 (09): 2013-2018.
DOI: 10.3866/PKU.WHXB201306283
3377
Abstract/Metrics
1368
PDF(603KB)
CATALYSIS AND SURFACE SCIENCE
Adsorption of Co(Ⅱ) and Ni(Ⅱ) on Beishan Granite:Surface Complexation Model and Linear Free Energy Relationship
CHEN Zong-Yuan, ZHANG Rui, YANG Xing-Long, WU Wang-Suo, GUO Zhi-Jun, LIU Chun-Li
The adsorption of Co(Ⅱ) and Ni(Ⅱ) on crushed Beishan granite (BS03, 600 m) was studied by a batch experimental method. T...
2013, 29 (09): 2019-2026.
DOI: 10.3866/PKU.WHXB201306271
3656
Abstract/Metrics
1378
PDF(971KB)
Effects of Ammonia and Amines on Heterogeneous Oxidation of Carbonyl Sulfide on Hematite
ZHANG Shuan-Qin, KONG Ling-Dong, ZHAO Xi, Roel JANSEN, CHEN Jian-Min
The heterogeneous oxidation of carbonyl sulfide (COS) on hematite pre-adsorbed with ammonia and methylamine, trimethylam...
2013, 29 (09): 2027-2034.
DOI: 10.3866/PKU.WHXB201306171
3790
Abstract/Metrics
1220
PDF(905KB)
Synthesis and Characterization of Nanosheet ZSM-5 Zeolites with Different SiO
2
/Al
2
O
3
Molar Ratios
WANG Wu-Gang, ZHANG Shao-Long, ZHANG Lan-Lan, WANG Yan, LIU Xiao-Ling, GONG Yan-Jun, DOU Tao
Nanosheet ZSM-5 zeolites with different SiO2/Al2O3 molar ratios have been hydrothermally synthesized by an organic surfa...
2013, 29 (09): 2035-2040.
DOI: 10.3866/PKU.WHXB201306183
3736
Abstract/Metrics
2119
PDF(2534KB)
Selective Oxidation of 4-Methoxymandelic Acid Catalyzed by Mononucleonic and Binucleonic Metal Complexes
YU Wei-Feng, MENG Xiang-Guang, LIU Ying, LI Xiao-Hong
Three kinds of mononucleonic metal complexes of L1Cu, L1Co, and L1Mn (L1=N,N'-bis-(2-hydroxyethyl)-malondiamide), and th...
2013, 29 (09): 2041-2046.
DOI: 10.3866/PKU.WHXB201306282
3088
Abstract/Metrics
1165
PDF(493KB)
Effect of Surface Promoters-Modifying on Catalytic Performance of Cu/ZnO/Al
2
O
3
Methanol Synthesis Catalyst
HAO Ai-Xiang, YU Yang, CHEN Hai-Bo, MAO Chun-Peng, WEI Shi-Xin, YIN Yu-Sheng
Surface promoters-modified Cu/ZnO/Al2O3 (CZA) catalysts were prepared by a coprecipitationpost impregnation method and e...
2013, 29 (09): 2047-2055.
DOI: 10.3866/PKU.WHXB201306211
3482
Abstract/Metrics
1841
PDF(2002KB)
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
Enhanced Photoluminescence Properties of CaF
2
in CaO-CaF
2
-B
2
O
3
-SiO
2
Glass Doped with Sm
2
O
3
QIAO Yin-Po, YIN Hai-Rong, ZHANG Yan-Bin, PAN Yun-Juan, QIAO Lu, LIU Ting
Aseries of luminescent glass composed of CaO-CaF2-B2O3-SiO2 doped with samariumoxide (CFBS: Sm) were prepared. The struc...
2013, 29 (09): 2056-2061.
DOI: 10.3866/PKU.WHXB201307091
3109
Abstract/Metrics
1459
PDF(966KB)
PHYSICAL CHEMISTRY OF MATERIALS
Microwave-Hydrothermal Synthesis and Photocatalytic Activity of Zn
2
GeO
4
Nanoribbons
DU Shu-Qing, YUAN Yu-Feng, TU Wei-Xia
Zn2GeO4 nanoribbons were synthesized via a microwave-hydrothermal method. The effects of reaction factors, such as react...
2013, 29 (09): 2062-2068.
DOI: 10.3866/PKU.WHXB201306213
3050
Abstract/Metrics
2693
PDF(2652KB)