Table of Contents

• Cover and Table of Contents for Vol.31 No. 3
• Acta Phys. -Chim. Sin. 2016, 32 (3), 0.

• 1670Abstract/Metrics
• 1312 PDF(20403KB)

ARTICLE

• Skeletal Mechanism Generation for Methyl Butanoate Combustion via Directed Relation Graph Based Methods
• Quan-De WANG
• Directed relation graph (DRG) based skeletal reduction methods have become the mainstream approach for skeletal mechanis...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 595-604. DOI: 10.3866/PKU.WHXB201512211

• 3893Abstract/Metrics
• 125RichHTML
• 1753 PDF(4914KB)

• Physicochemical Properties and CO₂ Solubility of Tetrabutylphosphonium Carboxylate Ionic Liquids
• Feng-Feng CHEN,Yan DONG,Xiao-Yan SANG,Yan ZHOU,Duan-Jian TAO
• Four tetrabutylphosphonium carboxylate ionic liquids ([P4444][CA]) were prepared, and their densities, viscosities, refr...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 605-610. DOI: 10.3866/PKU.WHXB201512241

• 4964Abstract/Metrics
• 35RichHTML
• Supporting Info
• 1457 PDF(1776KB)

• Ureidopyrimidinone Quadruple Hydrogen-Bonded Ferrocene Dimer: Control of Electronic Communication
• Su-Min WANG,Rong-Na ZHAO,Qi-Guan WANG,Hao GUO,Jin-Hua LI,Wen-Hui ZHANG
• A ferrocene homodimer was assembled via the ureidopyrimidinone quadruple hydrogen-bonded module in this paper. Remarkabl...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 611-616. DOI: 10.3866/PKU.WHXB201601044

• 4393Abstract/Metrics
• 19RichHTML
• Supporting Info
• 1473 PDF(2544KB)

• Properties of 1-(Cyanopropyl)-3-methylimidazolium Bis[(trifluoromethyl)sulfonyl]imide
• Qing-Shan LIU,Hui LIU,Lin MOU
• The functional ionic liquid (FIL) 1-(cyanopropyl)-3-methylimidazolium bis[(trifluoromethyl)sulfonyl] imide [PCNMIM][NTf2...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 617-623. DOI: 10.3866/PKU.WHXB201512171

• 3661Abstract/Metrics
• 18RichHTML
• Supporting Info
• 1429 PDF(1274KB)

• Effect of Supra-Molecular Interaction on the Intramolecular Proton Transfer of 2-(2-Aminophenyl)benzothiazole
• Jun-Feng XIANG,Ping-Gui YI,Zhi-Yong REN,Xian-Yong YU,Jian CHEN,Wu LIU,Tao-Mei LI
• The excited-state intramolecular proton transfer of 2-(2-aminophenyl)benzothiazole (APBT) in different environments was ...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 624-630. DOI: 10.3866/PKU.WHXB201512291

• 3326Abstract/Metrics
• 24RichHTML
• 1546 PDF(2156KB)

• Molar Gibbs Mixing Free Energy Calculation for a Na₂O-Al₂O₃-SiO₂ Ternary Melt Based on the Cluster Model
• Yong-Kang LI,Jing-Lin YOU,Jian WANG,Min WANG,Nan MA,Guang-Chao WEI
• Based on the cluster model of molten ternary silicates, the thermodynamic properties, including entropy, enthalpy, and h...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 631-637. DOI: 10.3866/PKU.WHXB201512281

• 4318Abstract/Metrics
• 14RichHTML
• 1934 PDF(4202KB)

• Kinetics and Thermodynamics of Lysozyme Adsorption on Mesoporous Titanium Dioxide
• Qi-Liang HONG,Yi-Hui DONG,Wei ZHUANG,Chao RAO,Chang LIU
• Mesoporous TiO2 was prepared by calcinating H2Ti205 at 773.15 K. The sample was characterized by Brunauer-Emmett-Teller ...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 638-646. DOI: 10.3866/PKU.WHXB201512181

• 4600Abstract/Metrics
• 25RichHTML
• 2072 PDF(2987KB)

• Molecular Dynamics Simulation on the Structure and Thermodynamics of Molten LiCl-KCl-CeCl₃
• Tao JIANG,Ning WANG,Chang-Ming CHENG,Shu-Ming PENG,Liu-Ming YAN
• The structure and thermodynamics of CeCl3 in molten LiCl-KCl-CeCl3 mixtures were studied by molecular dynamics simulatio...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 647-655. DOI: 10.3866/PKU.WHXB201601042

• 4240Abstract/Metrics
• 16RichHTML
• 2456 PDF(3536KB)

• First-Principles Study on TiO₂-B with Oxygen Vacancies as a Negative Material of Rechargeable Lithium-Ion Batteries
• Ling-Ming KONG,Bao-Lin ZHU,Xian-Yong PANG,Gui-Chang WANG
• Density functional theory calculations were carried out on oxygen-deficient TiO2-B to evaluate the effect of oxygen vaca...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 656-664. DOI: 10.3866/PKU.WHXB201512292

• 3783Abstract/Metrics
• 36RichHTML
• Supporting Info
• 1647 PDF(4126KB)

• Experimental and Theoretical Evidence for Supramolecular Self-Assembly and Hydrogen Bonding between Squaric Acid and 2, 6-Bis(2-benzimidazolyl)pyridine
• Ai-Bin HU,Zhi-Quan PAN,Qing-Rong CHENG,Hong ZHOU
• Supramolecular complex (1) was obtained from a mixture of squaric acid and 2, 6-bis(2-benzimidazolyl)pyridine in deutera...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 665-670. DOI: 10.3866/PKU.WHXB201512252

• 3600Abstract/Metrics
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• 1561 PDF(1826KB)

• Topological Analyses of Electron Density on π-hole Pnicogen Bonds in PO₂X…PX₃/PH₂X (X = F, Cl, Br, CH₃, NH₂) Complexes
• Yue-Hong WANG,Xiao-Yan LI,Yan-Li ZENG,Ling-Peng MENG,Xue-Ying ZHANG
• Acting as a molecular linker, the pnicogen bond plays an important role in crystal engineering and supramolecular synthe...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 671-682. DOI: 10.3866/PKU.WHXB201512293

• 3807Abstract/Metrics
• 13RichHTML
• Supporting Info
• 1729 PDF(3352KB)

• Molecular Recognition of α, β-Unsaturated Carbonyl Compounds and Chiral Guests by Uranyl-Salophen Receptors
• Sha GAO,Wen-Bo LAN,Ying-Wu LIN,Li-Fu LIAO,Chang-Ming NIE
• Based on density functional theory (DFT) calculations, the molecular recognition of α, β-unsaturated carbonyl compounds ...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 683-690. DOI: 10.3866/PKU.WHXB201512302

• 3596Abstract/Metrics
• 12RichHTML
• 1386 PDF(2020KB)

• Biomimetic Modification and Desalination Behavior of (15, 15) Carbon Nanotubes with a Diameter Larger than 2 nm
• Qing LI,Deng-Feng YANG,Jian-Hua WANG,Qi WU,Qing-Zhi LIU
• Different charged functional groups including ―COO- and ―NH3+ were added to the interior and entrance of (15, 15) armcha...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 691-700. DOI: 10.3866/PKU.WHXB201512182

• 4334Abstract/Metrics
• 12RichHTML
• 1728 PDF(5964KB)

• Theoretical Study on the Atmospheric Reaction of HS with HO₂: Mechanism and Rate Constants of the Major Channel
• Tian-Lei ZHANG,Chen YANG,Xu-Kai FENG,Zhu-Qing WANG,Rui WANG,Qiu-Li LIU,Peng ZHANG,Wen-Liang WANG
• The mechanism for the biradical reaction of HS with HO2 is investigated at the CCSD(T)/6-311++ G(3df, 2pd)//B3LYP/6-311+...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 701-710. DOI: 10.3866/PKU.WHXB201512303

• 4096Abstract/Metrics
• 15RichHTML
• 1822 PDF(3077KB)

• Electrochemical Behavior of Porous and Flat Silicon Electrode Interfaces
• Jing-Mei LÜ,Xuan CHENG
• The electrochemical responses of heavily doped n-type single-crystal silicon (CSi) during the formation of porous silico...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 711-716. DOI: 10.3866/PKU.WHXB201512242

• 3755Abstract/Metrics
• 10RichHTML
• 1388 PDF(3279KB)

• Layered Lithium-Rich Cathode Materials Synthesized by an Ethanol-Based One-Step Oxalate Coprecipitation Method
• Jian-Wen KOU,Zhao WANG,Li-Ying BAO,Yue-Feng SU,Yu HU,Lai CHEN,Shao-Yu XU,Fen CHEN,Ren-Jie CHEN,Feng-Chun SUN,Feng WU
• We synthesized layered lithium-rich cathode materials by a novel ethanol-based one-step oxalate coprecipitation method. ...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 717-722. DOI: 10.3866/PKU.WHXB201512301

• 4950Abstract/Metrics
• 31RichHTML
• 2145 PDF(1962KB)

• Layer-by-Layer Assembly of Graphene Oxide and Polyelectrolyte Composite Membranes for Monovalent Cation Separation
• Sheng-Jun ZHAO,Wei ZHANG,Hui-Ning DENG,Wei LIU
• Graphene oxide (GO) composite membranes were fabricated via layer-by-layer (LBL) assembling poly(ethylenimine) (PEI) and...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 723-727. DOI: 10.3866/PKU.WHXB201512141

• 4992Abstract/Metrics
• 23RichHTML
• 1913 PDF(2322KB)

• Preparation of Ternary Metal Sulfide/g-C₃N₄ Heterojunction Catalysts and Their Photocatalytic Activity under Visible Light
• Yan-Juan WANG,Jia-Yao SUN,Rui-Jiang FENG,Jian ZHANG
• A novel Zn-Mo-CdS/g-C3N4 heterojunction photocatalyst was prepared by hydrothermal posttreatment using dicyandiamide, zi...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 728-736. DOI: 10.3866/PKU.WHXB201511303

• 4564Abstract/Metrics
• 21RichHTML
• 2367 PDF(2845KB)

• Structural Features and Photocatalytic Performance of TiO₂-HNbMoO₆ Composite
• Li-Fang HU,Jie HE,Yuan LIU,Yun-Lei ZHAO,Kai CHEN
• A novel composite material TiO2-HNbMoO6 was prepared by an intercalation-pillar route. The phase and its microstructure,...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 737-744. DOI: 10.3866/PKU.WHXB201512184

• 3593Abstract/Metrics
• 11RichHTML
• 1538 PDF(3316KB)

• Synthesis and Catalytic Activity of Core-Shell MFI/CHA Zeolites
• Ling ZHANG,Hai-Yan WANG,Zhong-Xiang JIANG,Yu-Jia WANG
• MFI/CHA core-shell zeolites were synthesized by a two-step hydrothermal synthesis strategy (epitaxial growth). The growt...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 745-752. DOI: 10.3866/PKU.WHXB201512185

• 3972Abstract/Metrics
• 23RichHTML
• 2175 PDF(3148KB)

• Microwave-Assisted Synthesis of Esterified Bacterial Celluloses to Effectively Remove Pb(Ⅱ)
• Yin WANG,Feng-Ling SUN,Xiao-Dong ZHANG,Hong TAO,Yi-Qiong YANG
• Two modified bacterial celluloses, xanthate-modified bacterial cellulose (XMBC) and sulfate-modified bacterial cellulose...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 753-762. DOI: 10.3866/PKU.WHXB201512294

• 3372Abstract/Metrics
• 10RichHTML
• 1328 PDF(2063KB)

• Anion Effect on the Tunable Stability of a Thermoresponsive Pickering Emulsion Based on SiO₂-PNIPAM
• Fang CHEN,Zhu-Guo CHEN,Hui-Zhao SUN,Fan-Xiang MENG,Xiao-Yan MA
• Thermoresponsive hybrid particles of SiO2-PNIPAM (PNIPAM: poly(N-isopropyl acrylamide) were synthesized by surface initi...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 763-770. DOI: 10.3866/PKU.WHXB201512111

• 3707Abstract/Metrics
• 12RichHTML
• 1874 PDF(3715KB)

• Influence of Halogenated Benzene Solvents on the Photophysical Properties of Gallium Corroles: the External Heavy Atom Effect
• Xuan ZHAN,Fang ZHAO,Lei ZHANG,Biao-Biao LÜ,Su-Hong PENG,Xiao YING,Hui WANG,Hai-Yang LIU
• The photophysical properties of pentafluorophenyl-substituted gallium corroles in halogenated benzenes were investigated...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 771-779. DOI: 10.3866/PKU.WHXB201601043

• 4207Abstract/Metrics
• 22RichHTML
• 1760 PDF(3549KB)

• Effect of Structural Factors on the Hydrogen Storage Capacity of Nonstoichiometric TiMn_x Alloys
• Shen-Dong XU,Liang FANG,Xiao-Li DING
• The correlation between structural factors and hydrogen storage capacity of nonstoichiometric TiMnx (x = 1.4, 1.5, 1.6, ...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 780-786. DOI: 10.3866/PKU.WHXB201512154

• 2957Abstract/Metrics
• 14RichHTML
• 1595 PDF(1982KB)

• Epitaxial Graphene on Sapphire Substrate by Chemical Vapor Deposition
• Qing-Bin LIU,Cui YU,Ze-Zhao HE,Jing-Jing WANG,Jia LI,Wei-Li LU,Zhi-Hong FENG
• Epitaxial graphene by chemical vapor deposition (CVD) is one of the main methods to fabricate high-quality wafer-scale g...
• Acta Phys. -Chim. Sin. 2016, 32 (3), 787-792. DOI: 10.3866/PKU.WHXB201512183

• 4217Abstract/Metrics
• 21RichHTML
• 2075 PDF(2472KB)

• 杂化二维超薄结构实现低能垒的二氧化碳电催化还原
• 忠范 刘
• Acta Phys. -Chim. Sin. 2016, 32 (3), 793-794. DOI: 10.3866/PKU.WHXB201602181

• 3381Abstract/Metrics
• 7RichHTML
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• 有序介孔材料与石墨化纳米点的自嵌入超组装
• 南峰 郑
• Acta Phys. -Chim. Sin. 2016, 32 (3), 795-796. DOI: 10.3866/PKU.WHXB201602191

• 2687Abstract/Metrics
• 6RichHTML
• 1226 PDF(1134KB)

• Low-Cost Synthesis Route for High-Performance S/C Composite with 90% S Content
• Heng-Xing JI,Rodney S. RUOFF
• Acta Phys. -Chim. Sin. 2016, 32 (3), 797-799. DOI: 10.3866/PKU.WHXB201602192

• 3462Abstract/Metrics
• 9RichHTML
• 2462 PDF(1189KB)

• 二维原子晶体: 新型的高效氢同位素分离滤膜
• 磊 付
• Acta Phys. -Chim. Sin. 2016, 32 (3), 800-801. DOI: 10.3866/PKU.WHXB201602171

• 2817Abstract/Metrics
• 11RichHTML
• 1785 PDF(569KB)

• “氧气起源”新机制:二氧化碳分子的电子贴附解离
• 毅 罗
• Acta Phys. -Chim. Sin. 2016, 32 (3), 802-802. DOI: 10.3866/PKU.WHXB201602172

• 2933Abstract/Metrics
• 8RichHTML
• 1933 PDF(323KB)