Table of Contents

• Cover and Table of Contents for Vol.28 No. 5
• 2012, 28 (05): 0.

• 1276Abstract/Metrics
• 1680 PDF(7497KB)

REVIEW

• Magnetic Iron Oxide Nanoparticle——an Important Cornerstone of MR Molecular Imaging of Tumors
• QIAO Rui-Rui, ZENG Jian-Feng, JIA Qiao-Juan, DU Jun, SHEN Lin, GAO Ming-Yuan
• This review summaries the syntheses and applications of magnetic iron oxide nanocrystals that have been published worldw...
• 2012, 28 (05): 993-1011. DOI: 10.3866/PKU.WHXB201203023

• 4294Abstract/Metrics
• 4792 PDF(5755KB)

• Review of Oxygen Vacancies in CeO₂-doped Solid Solutions as Characterized by Raman Spectroscopy
• LI Lan, HU Geng-Shen, LU Ji-Qing, LUO Meng-Fei
• This review summarizes the current status of the evolution and observation of oxygen vacancies in CeO2-doped solid solut...
• 2012, 28 (05): 1012-1020. DOI: 10.3866/PKU.WHXB201203052

• 3495Abstract/Metrics
• 3025 PDF(1122KB)

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

• Phase Relationship, Structure and Cationic Distribution of Oxides in the Mn₃O₄-Fe₂O₃ System Synthesized at 1200 ℃
• WANG Rong, YANG Cheng-Xu, SHI Ying-Guo, SUN Yu-Zeng, LI Guo-Bao, JIN Tou-Nan, QIN Gao-Wu, LIAO Fu-Hui, LIN Jian-Hua
• A series of oxides in the Mn3O4-Fe2O3 system have been synthesized at 1200 ℃ in air, followed by quenching to room tempe...
• 2012, 28 (05): 1021-1029. DOI: 10.3866/PKU.WHXB201202271

• 4638Abstract/Metrics
• 1520 PDF(1316KB)

• Determination of Acid Dissociation Constant of Methyl Red by Multi-Peaks Gaussian Fitting Method Based on UV-Visible Absorption Spectrum
• ZHANG Jian-Hua, LIU Qiong, CHEN Yu-Miao, LIU Zhao-Qing, XU Chang-Wei
• UV-visible electronic absorption spectra of methyl red aqueous solutions are characterized by the overlap of a principal...
• 2012, 28 (05): 1030-1036. DOI: 10.3866/PKU.WHXB201203025

• 11989Abstract/Metrics
• 3635 PDF(1909KB)

• Quasi-Elastic Neutron Scattering Spectroscopy of the 1-Propanol/Water Solution by Molecular Dynamics Simulations
• ZHANG Xia, ZHANG Qiang, ZHAO Dong-Xia
• Quasi-elastic neutron scattering (QENS) spectroscopy as an important tool can be used to extract the molecular dynamic p...
• 2012, 28 (05): 1037-1044. DOI: 10.3866/PKU.WHXB201203072

• 2790Abstract/Metrics
• 1724 PDF(838KB)

• Vibrational Internal Energy of Chloromethyl Radical Formed by the Photodissociation of CH₂BrCl at 265 nm
• ZHANG Xiu, WU Dong, TANG Bi-Feng
• Photodissociation of CH2BrCl was investigated around 265 nm using resonance-enhanced multiphoton ionization technique co...
• 2012, 28 (05): 1045-1053. DOI: 10.3866/PKU.WHXB201203061

• 2535Abstract/Metrics
• 1277 PDF(1825KB)

• Synthesis of Tailed Porphyrin Modified with Nicotinic Acid and Interactions with Human Serum Albumin
• PENG Yu-Ling, WANG Shu-Jun, FU Li, ZHANG Cheng-Gen, LIU Xin-Gang
• Free porphyrins, namely o-(niacin)C2O-T(3p-OCH3)PP and p-(niacin)C2O-T(3p-OCH3)PP, their complexes, o-(niacin)C2O-T(3p-O...
• 2012, 28 (05): 1054-1062. DOI: 10.3866/PKU.WHXB201202222

• 2396Abstract/Metrics
• 1373 PDF(717KB)

THEORETICAL AND COMPUTATIONAL CHEMISTRY

• First-Principles Study of H₂ Dissociative Adsorption Reactions on WO₃ Surfaces
• TIAN Xiang-Gui, ZHANG Yue, YANG Tai-Sheng
• The reaction mechanism of H2 dissociative adsorption on WO3 surfaces was studied by a first-principles method. Calculati...
• 2012, 28 (05): 1063-1069. DOI: 10.3866/PKU.WHXB201203021

• 3092Abstract/Metrics
• 2224 PDF(3033KB)

• Molecular Transport through Finite-Length Carbon Nanotubes
• LÜ Yong-Jun, CHEN Min
• The transport of helium molecules in open and finite-length single-walled carbon nanotubes was studied using non-equilib...
• 2012, 28 (05): 1070-1076. DOI: 10.3866/PKU.WHXB201202213

• 2533Abstract/Metrics
• 1601 PDF(2606KB)

• Molecular Dynamics Simulation of Thermal Transport Properties for Boron Nitride Nanotubes
• GAO Yu-Fei, MENG Qing-Yuan, ZHANG Lu, LIU Jia-Qiu, JING Yu-Hang
• The Boltzmann-Peierls phonon transport equation (BTE) and non-equilibrium molecular dynamics simulation (NEMD) are used ...
• 2012, 28 (05): 1077-1084. DOI: 10.3866/PKU.WHXB201202273

• 3614Abstract/Metrics
• 2199 PDF(2012KB)

• Electronic Absorption Spectra of Meso-Substituted Porphyrins and Their Zinc Derivatives
• CAO Zhen-Feng, CHEN Qi-Bin, LU Yun-Xiang, LIU Hong-Lai, HU Ying
• Meso-substituted porphyrin derivatives have demonstrated great potential as sensing materials for toxic gas detection. I...
• 2012, 28 (05): 1085-1093. DOI: 10.3866/PKU.WHXB201203024

• 3049Abstract/Metrics
• Supporting Info
• 1505 PDF(1235KB)

• Photolysis Reaction of 2-Phenylbenzo[d]oxazole
• LI Hui-Xue, WANG Xiao-Feng, LI Zhi-Feng, ZHU Yuan-Cheng
• The temperature-resilient, high tensile-strength fiber poly[p-phenylene benzobisoxazole] (PBO) is light-unstable and it ...
• 2012, 28 (05): 1094-1100. DOI: 10.3866/PKU.WHXB201203062

• 2421Abstract/Metrics
• 1276 PDF(1698KB)

• A DFT Study of Methane Adsorption on Nitrogen-Containing Organic Heterocycles
• JIANG Qian, CHU Wei, SUN Wen-Jing, LIU Feng-Si, XUE Ying
• In coal, nitrogen exists in a variety of forms. We presented 11 compounds of different hybridization forms and nitrogen ...
• 2012, 28 (05): 1101-1106. DOI: 10.3866/PKU.WHXB201203054

• 4077Abstract/Metrics
• Supporting Info
• 1443 PDF(1270KB)

• Reaction Pathways of Acetylene Adsorption on the Ge(001) Surface
• FAN Xiao-Li, LIU Yan, LIU Chong, LAU Woon-Ming
• The adsorption reaction of acetylene on the Ge(001) surface is investigated by first-principles calculations. In order t...
• 2012, 28 (05): 1107-1112. DOI: 10.3866/PKU.WHXB201203011

• 4160Abstract/Metrics
• 1198 PDF(2090KB)

• Structure and Stability of Compounds with Planar Pentacoordinate Carbons and Planar Tetracoordinate Carbons
• WU Lin-Feng, LI Fei-Fei, ZHANG Cong-Jie
• We have investigated the structures, gaps, IR spectra, electronic spectra, Wiberg bond indices (WBIs), and aromaticity o...
• 2012, 28 (05): 1113-1119. DOI: 10.3866/PKU.WHXB201203071

• 2528Abstract/Metrics
• 1152 PDF(1618KB)

• Evolution of the Molecular Face during the Reaction Process of F^-+CH₃Cl→CH₃F+Cl^-
• ZHANG Ming-Bo, GONG Li-Dong
• Bimolecular nucleophilic substitution (SN2) reactions are among the fundamental organic reactions, in which electron tra...
• 2012, 28 (05): 1120-1126. DOI: 10.3866/PKU.WHXB201203082

• 2623Abstract/Metrics
• 1288 PDF(768KB)

ELECTROCHEMISTRY AND NEW ENERGY

• Effect of pH and Au Nanoparticles on Cytochrome c Investigated by Electrochemistry and UV-Vis Absorption Spectroscopy
• WANG Yan-Yan, JIANG Yan-Xia, SUSHAAndrei, ROGACH Andrey, SUN Shi-Gang
• In this paper, gold nanoparticles (NPs) with an average size of (4.7 ± 0.6) nm, capped with mercaptopropionic aci...
• 2012, 28 (05): 1127-1133. DOI: 10.3866/PKU.WHXB201203073

• 3001Abstract/Metrics
• 1754 PDF(1751KB)

• Fabrication and Characterization of Quasi-Solid-State Electrolyte Films Based on Polyvinyl Butyral
• ZHOU Wei, HUANG Qi-Yu, WANG Xiao-Chen, QI Fang-Yi, JIAO Fang, ZHENG Yi-Zhou
• The preparation and properties of quasi-solid-state electrolyte films based on polyvinyl butyral were studied. The films...
• 2012, 28 (05): 1134-1138. DOI: 10.3866/PKU.WHXB201203051

• 2415Abstract/Metrics
• 1611 PDF(993KB)

• New Comb-Like Copolymer for Quasi-Solid Electrolyte Based Dye-Sensitized Solar Cells and Its Effects on Electron Recombination
• ZHANG Ren-Kai, SUN Zhe, XIE Huan-Huan, LIANG Mao, XUE Song
• A comb-like copolymer based on N-propylvinylimidazolium iodide (VImI) and poly(ethylene glycol) methyl ether methacrylat...
• 2012, 28 (05): 1139-1145. DOI: 10.3866/PKU.WHXB201202233

• 2670Abstract/Metrics
• 1334 PDF(927KB)

• Electrochemical Impedance Spectroscopy Study of Failure Process of an Epoxy/Fluorocarbon Coating System
• PANG Ran, ZUO Yu, TANG Yu-Ming, XIONG Jin-Ping
• The failure processes of a multi-layer coating system (zinc-rich epoxy primer, epoxy middle layer, and fluorocarbon topc...
• 2012, 28 (05): 1146-1152. DOI: 10.3866/PKU.WHXB201202272

• 2783Abstract/Metrics
• 1396 PDF(3449KB)

• Effect of Rust Layer on the Corrosion Behavior of Carbon Steel in Reverse Osmosis Product Water
• HU Jia-Yuan, CAO Shun-An, XIE Jian-Li
• The morphologies and electrochemical characteristics of rust layers generated in seawater and reverse osmosis (RO) produ...
• 2012, 28 (05): 1153-1162. DOI: 10.3866/PKU.WHXB201203022

• 2598Abstract/Metrics
• 1441 PDF(1177KB)

• Direct Electrochemistry of Cytochrome c Adlayer on the ITO Electrode
• ZHANG Zhe, QI Zhi-Mei, ZHANG Rong-Jun
• The electrochemical redox reaction of a cytochrome c (Cyt c) adlayer on an indium tin oxide (ITO) electrode was directly...
• 2012, 28 (05): 1163-1168. DOI: 10.3866/PKU.WHXB201202241

• 3025Abstract/Metrics
• 1616 PDF(619KB)

• Preparation and Electrochemical Performance of LiTi₂(PO₄)₃/C Composite Cathode for Lithium Ion Batteries
• YUAN Zheng, CUI Yong-Li, SHEN Ming-Fang, QIANG Ying-Huai, ZHUANG Quan-Chao
• LiTi2(PO4)3/C composite with a Na+ superionic conductor (NASICON)-type structure was prepared by a sol-gel method. The L...
• 2012, 28 (05): 1169-1176. DOI: 10.3866/PKU.WHXB201203012

• 2981Abstract/Metrics
• 1728 PDF(2792KB)

• Doping-Coating Surface Modification of Spinel LiMn₂O₄ Cathode Material with Al³⁺ for Lithium-Ion Batteries
• XIONG Li-Long, XU You-Long, ZHANG Cheng, TAO Tao
• A doping-coating surface modification method was used to improve the cycle performance of the lithium-ion battery cathod...
• 2012, 28 (05): 1177-1182. DOI: 10.3866/PKU.WHXB201203092

• 2872Abstract/Metrics
• 1341 PDF(998KB)

• Synthesis of LiFePO₄ Cathode Materials by Mechanical-Activation-Assisted Polyol Processing
• CAO Yan-Bing, DUAN Jian-Guo, JIANG Feng, HU Guo-Rong, PENG Zhong-Dong, DU Ke
• A low-temperature approach for efficient preparation of LiFePO4 was developed. The rod-shaped [Fe3(PO4)2·8H2O + L...
• 2012, 28 (05): 1183-1188. DOI: 10.3866/PKU.WHXB201202221

• 2510Abstract/Metrics
• 1334 PDF(816KB)

SOFT MATTER

• Thermal and Mechanical Properties of Density-Gradient Aerogels for Outer-Space Hypervelocity Particle Capture
• DU Ai, ZHOU Bin, GUI Jia-Yin, LIU Guang-Wu, LI Yu-Nong, WU Guang-Ming, SHEN Jun, ZHANG Zhi-Hua
• Aerogels with densities in the range 40-175 mg·cm-3 were prepared using a tetraethyl orthosilicate (TEOS) ethanol...
• 2012, 28 (05): 1189-1196. DOI: 10.3866/PKU.WHXB201202292

• 3848Abstract/Metrics
• 1653 PDF(3277KB)

• Comparision of Silica Anti-Reflective Films Obtained via a Sol-Gel Process in the Presence of PEG or PVP
• TIAN Hong, ZHANG -Lei, XU Yao, WU Dong, WU Zhong-Hua, LÜ Hai-Bing, YUAN Xiao-Dong
• The different effects of poly(ethylene glycol) (PEG) and poly(vinylpyrrolidone) (PVP) on the structure and laser-induced...
• 2012, 28 (05): 1197-1205. DOI: 10.3866/PKU.WHXB201202231

• 3028Abstract/Metrics
• 1517 PDF(1556KB)

• Mechanism and Condition Analysis of Condensed Drop Jumping on Super-Hydrophobic Surfaces
• LIU Tian-Qing, SUN Wei, SUN Xiang-Yu, AI Hong-Ru
• The initial shape of a coalesced drop is determined by the conservation of drop volume and the surface free energy befor...
• 2012, 28 (05): 1206-1212. DOI: 10.3866/PKU.WHXB201202293

• 5993Abstract/Metrics
• 2124 PDF(829KB)

• Highly Stable Foams Generated by the Gemini Surfactant Ethanediyl-α,ω-bis(tetradecyldimethylammonium bromide)
• WU Xiao-Na, ZOU Wen-Sheng, ZHAO Jian-Xi
• This paper reports a highly stable foam system generated by the gemini surfactant ethanediyl- α,ω-bis(tetrad...
• 2012, 28 (05): 1213-1217. DOI: 10.3866/PKU.WHXB201203053

• 2361Abstract/Metrics
• 1211 PDF(776KB)

• Highly Viscoelastic Worm-Like Micelle Solution of Sodium Hexadecyl Sulfate Induced by Bolaform Counterions
• ZHAO Jian-Xi, YANG Duo-Ping
• The rheological behaviors of mixed aqueous solutions of sodium hexadecyl sulfate (SHS) and a bolaform salt, either N,N'-...
• 2012, 28 (05): 1218-1222. DOI: 10.3866/PKU.WHXB201202211

• 2474Abstract/Metrics
• 1244 PDF(544KB)

CATALYSIS AND SURFACE SCIENCE

• Adsorption of Low Concentration CO₂ by Modified Carbon Nanotubes under Ambient Temperature
• YE Qing, ZHANG Yu, LI Ming, SHI Yao
• Solid amine adsorbents for low concentration CO2 removal were developed using carbon nanotubes (CNTs) impregnated with t...
• 2012, 28 (05): 1223-1229. DOI: 10.3866/PKU.WHXB201202234

• 2933Abstract/Metrics
• 1740 PDF(1379KB)

• Catalytic Performance and Steady-State Kinetics of Cu-ZSM-5 for Selective Catalytic Reduction of NO with NH₃
• ZHANG Qiu-Lin, XU Hai-Di, QIU Chun-Tian, LIN Tao, GONG Mao-Chu, CHEN Yao-Qiang
• A series of Cu-ZSM-5 catalysts with different Cu loadings were prepared by an incipient wetness impregnation method. The...
• 2012, 28 (05): 1230-1236. DOI: 10.3866/PKU.WHXB201202232

• 2611Abstract/Metrics
• 1735 PDF(674KB)

• Effect of Ce_0.45Zr_0.45Y_0.07La_0.03O_1.95/La-Ba-Al₂O₃ Mass Ratio on the Activity of Fe-Based Monolithic Catalysts for the Combustion of Thin Methane
• CHEN Yong-Dong, WANG Lei, TANG Shui-Hua, CAO Hong-Yan, GONG Mao-Chu, CHEN Yao-Qiang
• Ce0.45Zr0.45Y0.07La0.03O1.95, an oxygen storage material (OSM), and La-Ba-Al2O3 have been prepared by co-precipitation a...
• 2012, 28 (05): 1237-1242. DOI: 10.3866/PKU.WHXB201203141

• 2422Abstract/Metrics
• 938 PDF(472KB)

• Preparation of La-Ni-Mo-B Amorphous Catalyst and Its Catalytic Properties for Hydrodeoxygenation of Phenol
• WANG Wei-Yan, ZHANG Xiao-Zhe, YANG Yun-Quan, YANG Yan-Song, PENG Hui-Zuo, LUO He-An
• Lanthanum-promoted Ni-Mo-B amorphous catalysts were prepared by chemical reduction of the corresponding metal salts with...
• 2012, 28 (05): 1243-1251. DOI: 10.3866/PKU.WHXB201203081

• 3259Abstract/Metrics
• 1550 PDF(1001KB)

• Oxidation and Oxygen Thermal Desorption Mechanism on Narrow-Gap IV-VI Semiconductor PbTe(111) Surface
• WU Hai-Fei, WU Ke, ZHANG Han-Jie, LIAO Qing, HE Pi-Mo
• Oxidation and thermal desorption mechanism on the PbTe(111) surface were investigated using X-ray photoemission spectros...
• 2012, 28 (05): 1252-1256. DOI: 10.3866/PKU.WHXB201202131

• 2359Abstract/Metrics
• 1701 PDF(755KB)

BIOPHYSICAL CHEMISTRY

• Molecular Docking in Xin-Ke-Shu Preparation's Multi-Target Effect on Coronary Heart Disease
• HU Yan-Bao, PENG Jing-Bo, GU Shuo, PEI Jian-Feng, ZOU Zhong-Mei
• Xin-Ke-Shu (XKS), a traditional Chinese medicine (TCM) preparation, has been widely used for treatment of coronary heart...
• 2012, 28 (05): 1257-1264. DOI: 10.3866/PKU.WHXB201202212

• 2914Abstract/Metrics
• 1585 PDF(779KB)

PHYSICAL CHEMISTRY OF MATERIALS

• Fabrication and Magnetic Properties of Electrospun Zinc Ferrite Hollow Fibers
• ZHU Fu-Liang, CHEN Yuan-Feng, CHENG Yong-Liang, ZHU Yu-Qing, YAN Xing-Bin
• Zinc ferrite (ZnFe2O4) hollow fibers have been fabricated by annealing electrospun polyvinylpyrrolidone (PVP)/nitrate sa...
• 2012, 28 (05): 1265-1268. DOI: 10.3866/PKU.WHXB201202291

• 2452Abstract/Metrics
• 1318 PDF(796KB)

• Electrochemical Indirect Measurement for the Study of Glutathione Adsorption on Multiwalled Carbon Nanotubes and Activated Carbon
• TANG Jing, ZENG Qiao, CHEN Zhen-Dong, HUANG Xiang-Qian
• Because of the chemical reaction between Cr(VI) ions and glutathione, the peak reduction current of Cr(VI) ions decrease...
• 2012, 28 (05): 1269-1274. DOI: 10.3866/PKU.WHXB201202242

• 2619Abstract/Metrics
• 1178 PDF(1488KB)