Acta Phys. -Chim. Sin.

Table of Contents

Cover and Table of Contents for Vol.30 No. 8
Acta Phys. -Chim. Sin. 2014, 30 (8), 0.

REVIEW

Recent Research Progress in Alkaline Polymer Electrolyte Membranes for Alkaline Solid Fuel Cells
HOU Hong-Ying
Alkaline polymer electrolyte membrane fuel cell (APEMFC) has received much recent attention, primarily motivated by thei...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1393-1407. DOI: 10.3866/PKU.WHXB201406171

Retracted

Development of a Home-Made Long Path Absorption Photometer for the Sensitive Detection of Nitrous Acid
CHEN Lin, HOU Si-Qi, WANG Wei-Gang, TONG Sheng-Rui, PEI Ke-Mei, GE Mao-Fa
This article has been retracted at the request of the authors.
Acta Phys. -Chim. Sin. 2014, 30 (8), 1408-1415. DOI: 10.3866/PKU.WHXB201406032

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

Rotamers of m-Methylanisole Studied by Mass-Analyzed Threshold Ionization Spectroscopy
QIN Chen, TZENG Sheng-Yuan, ZHANG Bing, TZENG Wen-Bih
The S1←S0 electronic transition and threshold ionization of the cis and trans rotamers of m-methylanisole were inve...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1416-1425. DOI: 10.3866/PKU.WHXB201405232

pVT Properties of Alkanes Using Crossover VTSRK Equation of State
SHEN Ai-Jing, DUAN Yuan-Yuan, YANG Zhen
Accurate predictions of the pVT properties of alkanes are very important since they are associated with many fundamental...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1426-1431. DOI: 10.3866/PKU.WHXB201405231

THEORETICAL AND COMPUTATIONAL CHEMISTRY

Effects of A-Site Substitutions on Negative Thermal Expansion in PbTiO₃ fromFirst-Principles Calculations
WANG Fang-Fang, CAO Zhan-Min, CHEN Jun, XING Xian-Ran
Recent experimental results have indicated that the negative thermal expansion is a common phenomenon in PbTiO3-based ma...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1432-1436. DOI: 10.3866/PKU.WHXB201405281

Stability and Raman Spectroscopy of Alkane Guest Molecules (C_nH_m, n≤6, m≤14) in 5¹²6² and 5¹²6⁴ Water Cavities by Density Functional Theory Calculations
CAO Xiao-Xiao, SU Yan, ZHAO Ji-Jun, LIU Chang-Ling, ZHOU Pan-Wang
The gas composition in natural gas hydrate deposits is complex, and therefore the use of spectroscopic analysis to eluci...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1437-1446. DOI: 10.3866/PKU.WHXB201405292

Theoretical Studies on Low-Lying States of AuX (X=O, S)
LIANG Yan-Ni, WANG Fan
Multireference approaches have commonly been employed to calculate low-lying states of openshell molecules with spin-orb...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1447-1455. DOI: 10.3866/PKU.WHXB201405302

Selective Hydrogenation Mechanism of Cinnamaldehyde on Au(111) Surface
XIAO Xue-Chun, SHI Wei, NI Zhe-Ming
The adsorption behavior and selective hydrogenation reaction mechanisms (C=O addition, C=C addition, and 1,4-conjugate a...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1456-1464. DOI: 10.3866/PKU.WHXB201406091

ELECTROCHEMISTRY AND NEW ENERGY

AMechanistic Study on Semiconductivity Conversion of Passive Films under Varying Sulfate to Chloride Concentration Ratios
XIA Da-Hai, YANG Li-Xia
Alloy 800 is an important steamgenerator material used in nuclear power plants, and so there is significant interest in ...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1465-1473. DOI: 10.3866/PKU.WHXB201405211

One-Step Hydrothermal Preparation and Electrochemical Performance of Graphene/Sulfur Cathode Composites
LI Qing-Zhou, LI Yu-Hui, LI Ya-Juan, LIU You-Nian
Reduced graphene oxide/sulfur (RGO/S) composites were synthesized by a one-step hydrothermal method using a mixture of s...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1474-1480. DOI: 10.3866/PKU.WHXB201406041

Synthesis of Nanostructured LiNi_1/3Co_1/3Mn_1/3O₂ by Ammonia-Evaporation-Induced Synthesis and Its Electrochemical Properties as a Cathode Material for a High-Power Li-Ion Battery
HUA Wei-Bo, ZHENG Zhuo, LI Long-Yan, GUO Xiao-Dong, LIU Heng, SHEN Chong-Heng, WU Zhen-Guo, ZHONG Ben-He, HUANG Ling
We report on an ammonia-evaporation-induced synthetic method for nanostructured LiNi1/3Co1/3Mn1/3O2 cathode material. Po...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1481-1486. DOI: 10.3866/PKU.WHXB201405303

Influence of pH Values on the Structure and Performance of a Polypyrrole Counter Electrode for Dye-Sensitized Solar Cells
SU Jia, LU Shan, WANG Sha-Sha, ZHANG Xue-Hua, FU Yu-Bin, HE Tao
The pH of the solution used to produce an electro- polymerized polypyrrole (PPy) film has a significant impact on the mo...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1487-1494. DOI: 10.3866/PKU.WHXB201405272

Preparation of a Highly Efficient PbS Electrode and Its Application in Quantum Dots-Sensitized Solar Cells
ZHANG Jing-Bo, LI Pan, YANG Hui, ZHAO Fei-Yan, TANG Guang-Shi, SUN Li-Na, LIN Yuan
To improve the light-to-electric conversion efficiency of quantum dots-sensitized nanocrystalline thin-film solar cells,...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1495-1500. DOI: 10.3866/PKU.WHXB201405051

SOFT MATTER

Self-Assembly of Vesicles from Oligoaramide Based on Multiple Hydrogen Bonds
HE You-Zhou, LIU Yun, LIU Peng, FENG Wen, YUAN Li-Hua
Six-hydrogen-bonded oligoaramide heteroduplexes demonstrate extremely high sequencespecificity and tunable stability dur...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1501-1508. DOI: 10.3866/PKU.WHXB201406122

Characterization of a Homogeneously Mixed Octyltriethoxyilane/Octadecyltrichlorosilane Self-Assembled Monolayer and Analysis of Its Formation Mechanism
ZHU Zhi-Wen, XU Guo-Hua, ANYue, HE Chao-Hong
The wettability, surface topography, surface potential, and degree of order of a homogeneously mixed octyltriethoxysilan...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1509-1517. DOI: 10.3866/PKU.WHXB201405282

CATALYSIS AND SURFACE SCIENCE

Benzylation of Naphthalene over a Mesoporous ZSM-5 Zeolite Microsphere Catalyst
MIAO Hai-Xia, MA Li, MA Jing-Hong, LI Dui-Chun, LI Rui-Feng
A microspherical ZSM-5 zeolite aggregated from nanosized zeolite crystals with intra- and intercrystalline mesoporous st...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1518-1526. DOI: 10.3866/PKU.WHXB201405271

Effect of Support on the Structural Evolution and Catalytic Performance of WO₃-Supported Catalysts in the Synthesis of Adipic Acid
ZHANG Zhao-Yan, ZHU Quan-Jing, DING Jing, DAI Wei-Lin, ZONG Bao-Ning
A series of tungsten-based catalysts were synthesized via a traditional impregnation method using SBA-15, hexagonal meso...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1527-1534. DOI: 10.3866/PKU.WHXB201406121

Visible Light Photocatalytic Performance of Cu₂O/TiO₂ Nanotube Heterojunction Composites Prepared by Pulse Deposition
ZHANG Jian-Fang, WANG Yan, SHEN Tian-Kuo, SHU Xia, CUI Jie-Wu, CHEN Zhong, WU Yu-Cheng
Highly ordered TiO2 nanotube arrays (TNAs) were fabricated by an electrochemical anodization process and Cu2O nanopartic...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1535-1542. DOI: 10.3866/PKU.WHXB201405221

Microwave-Assisted Solvothermal Synthesis of In-Si Co-Modified TiO₂ Photocatalysts with Enhanced Photocatalytic Activity
TIAN Hong, WANG Hui-Xiang, SHI Wei-Mei, XU Yao
In-Si co-modified TiO2 photocatalysts were synthesized via a microwave-assisted solvothermal method. The obtained materi...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1543-1549. DOI: 10.3866/PKU.WHXB201406161

NO_x Storage Reduction Performance of Coupled BaFeO_3-x+Cu-ZSM-5 Catalyst
Lü Jiao-Long, LI Feng-Li, LI Xin-Gang
A BaFeO3-x+Cu-ZSM-5 coupled catalyst was designed and synthesized to eliminate the NOx emitted from lean-burn exhausts, ...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1550-1558. DOI: 10.3866/PKU.WHXB201406031

Effects of Two Different CeO₂ Materials on Lean NO_x Trap Performance below 300 ℃
ZHU Jin-Xin, SHEN Mei-Qing, Lü Liang-Fang, WANG Jun, WANG Jian-Qiang
The present work investigated the effects of two types of CeO2 materials on the lean NOx trap (LNT) performance over NOx...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1559-1566. DOI: 10.3866/PKU.WHXB201405283

Effect of NO₂ on the Selective Catalytic Reduction of NO with NH₃ over Cu/SAPO-34 Molecular Sieve Catalyst
HAO Teng, WANG Jun, YU Tie, WANG Jian-Qiang, SHEN Mei-Qing
This study investigated the effects of NO2 on the selective catalytic reduction (SCR) of NO by NH3 over Cu/SAPO-34 catal...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1567-1574. DOI: 10.3866/PKU.WHXB201405261

PHOTOCHEMISTRY AND RADIATION CHEMISTRY

Study on the Photodissociation Mechanism of N₂O⁺ via B²П_i←X²П Transitions
WU Dan, ZHANG Li-Min, ZHOU Dan-Na
Photofragment (NO+ and N2+) excitation (PHOFEX) spectra of N2O+ via B2Пi←X2Π transitions was obtained over the w...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1575-1580. DOI: 10.3866/PKU.WHXB201405202

Crystal Structure and Radiation Stability of Sr(NO₃)₂·DCH18C6 Complex
ZHOU Han-Yang, YU Tian-Lin, AO Yin-Yong, PENG Jing, ZHAI Mao-Lin
Dicyclohexano-18-crown-6 ether (DCH18C6) is an efficient extractant for the removal of 90Sr from liquid radioactive wast...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1581-1586. DOI: 10.3866/PKU.WHXB201406061

BIOPHYSICAL CHEMISTRY

Molecular Dynamics Simulations on the Binding of Fullerene to Amyloid-β Oligomers
ZHOU Xiao-Ying, XI Wen-Hui, WEI Guang-Hong
We investigated the binding process of fullerene to fibril-like Aβ42 oligomers by performing multiple molecular dyn...
Acta Phys. -Chim. Sin. 2014, 30 (8), 1587-1596. DOI: 10.3866/PKU.WHXB201405291