Table of Contents

• Cover and Table of Contents for Vol.28 No. 2
• 2012, 28 (02): 0-0

• 1204Abstract/Metrics
• 1414 PDF(3597KB)

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

• Mirror Symmetry Breaking of cis-[Ni(NCS)₂tren]: Special Chiral Conformations of Chelate Rings
• LIU Cheng-Yong, YAN Jian-Xin, LIN Yi-Ji, LI Dan, FANG Xue-Ming, ZHANG Hui
• In order to explore the chiral origin of cis-[Ni(NCS)₂tren] [tren: tris(2-aminoethyl) amine], a pair of chiral...
• 2012, 28 (02): 257-264 DOI: 10.3866/PKU.WHXB201112091

• 2333Abstract/Metrics
• Supporting Info
• 1378 PDF(786KB)

• Synthesis, Characterization and Properties of Salen-Type Complexes
• LIU Jia, GUO Li-Qin, ZHANG Xiao-Hong, RUAN Wen-Juan, ZHU Zhi-Ang
• Two new Salen ligands H₂L¹ (N,N'-bis(3-dimethoxy-salicylidene)-4,5-dimethoxy-1,2- phenylenediamine)...
• 2012, 28 (02): 265-272 DOI: 10.3866/PKU.WHXB201111251

• 2797Abstract/Metrics
• 1344 PDF(689KB)

• Interlayer Reaction of Thiosulfate in a Confined Region of Layered Double Hydroxides
• WANG Li-Geng, YUAN Ting, LI Yuan, SHI Wei, NI Zhe-Ming
• The thiosulfate anion (S₂O₃^2-) was intercalated into a ZnAl layered double hydroxide (LDH), and i...
• 2012, 28 (02): 273-282 DOI: 10.3866/PKU.WHXB201111243

• 3397Abstract/Metrics
• 1316 PDF(2843KB)

• Formation and Spectral Properties of Perylene Oligomers
• LIU Li-Min, ZHANG Xian-Fu
• We report the conditions required for the formation of perylene oligomers, which are closely related to the crystal nuclei for the...
• 2012, 28 (02): 283-289 DOI: 10.3866/PKU.WHXB201111292

• 2421Abstract/Metrics
• 1304 PDF(2837KB)

• Synthesis, Characterization and Thermal Decomposition Mechanism of Rare Earth Complexes with 5-Chloro-2-methoxybenzoic Acid and 1,10-Phenanthroline
• ZHANG Jie, WANG Juan-Fen, ZHANG Jian-Jun
• Three rare earth complexes of [Ln(5-Cl-2MOBA)₃phen]₂ (Ln=Nd(1), Eu(2), Ho(3); 5-Cl- 2MOBA: 5-chloro-2-methox...
• 2012, 28 (02): 290-296 DOI: 10.3866/PKU.WHXB201112121

• 1923Abstract/Metrics
• 1464 PDF(784KB)

• Solvo-Thermal Synthesis of Cu₂O Micro-Spheres and Their Catalytic Performance for Thermal Decomposition of Ammonium Perchlorate
• LUO Xiao-Lin, HAN Yin-Feng, YANG De-Suo, CHEN Ya-Shao
• Cu₂O micro-spheres were fabricated by a solvothermal method using poly vinylpyrrolidone (PVP) as an additive. The influ...
• 2012, 28 (02): 297-302 DOI: 10.3866/PKU.WHXB201112012

• 2419Abstract/Metrics
• 1418 PDF(1046KB)

THEORETICAL AND COMPUTATIONAL CHEMISTRY

• Effects of Mode-Mode Coupling on Vibrational Frequency Blue Shift in Improper H-Bonded Systems
• KONG Xiang-Lei
• Bond shortening of NH/CH due to improper hydrogen bonding is always thought to be accompanied by a blue shift in its corresponding...
• 2012, 28 (02): 303-308 DOI: 10.3866/PKU.WHXB201112013

• 2481Abstract/Metrics
• 1072 PDF(840KB)

• Monte Carlo Simulation on the Structures of a Nanoparticle/ Copolymer Mixed System
• LIU Guan-Feng, HUANG Jian-Hua
• The structures of a nanoparticle/copolymer mixed system were studied using lattice dynamic Monte Carlo simulations. Each copolymer...
• 2012, 28 (02): 309-314 DOI: 10.3866/PKU.WHXB201111211

• 2612Abstract/Metrics
• 1766 PDF(2056KB)

• Adsorption Structure and Energy of Pyridine Confined inside Zeolite Pores
• HAN Bing, CHU Yue-Ying, ZHENG An-Min, DENG Feng
• The performance of different exchange-correlation functionals for the description of the interaction of pyridine with different cl...
• 2012, 28 (02): 315-323 DOI: 10.3866/PKU.WHXB201111232

• 2929Abstract/Metrics
• 1502 PDF(2361KB)

• Electronic Structures and Optical Properties of Cu:MgF₂ Crystal
• ZHANG Zhi-Yu, HAN Pei-De, ZHANG Cai-Li, ZHANG Xue, SUN Xiang-Lei, LI Yu-Ping
• Based on the density functional pseudopotential method, the geometries, electronic structures, and optical properties of MgF_2...
• 2012, 28 (02): 324-330 DOI: 10.3866/PKU.WHXB201112061

• 4218Abstract/Metrics
• 1858 PDF(1698KB)

• Enhanced Bonding between Noble Metal Adatoms and Graphene with Point Defects
• XIE Peng-Yang, ZHUANG Gui-Lin, LÜ Yong-An, WANG Jian-Guo, LI Xiao-Nian
• The adhesion of Ag, Au, and Pt adatoms on pristine graphene and that containing point defects including N-substitution, B-substitu...
• 2012, 28 (02): 331-337 DOI: 10.3866/PKU.WHXB201111021

• 7966Abstract/Metrics
• 2371 PDF(1552KB)

ELECTROCHEMISTRY AND NEW ENERGY

• Effect of Doping with Ti⁴⁺ Ion on the Electrochemical Performance of LiFe_0.6Mn_0.4PO₄/C
• GAO Ping, TAN Zhuo, CHENG Fu-Quan, ZHOU Heng-Hui, TAN Song-Ting
• Ti-doped LiFe_0.6Mn_0.4PO₄/C materials were synthesized by a solid-state method. The structures, mo...
• 2012, 28 (02): 338-342 DOI: 10.3866/PKU.WHXB201111242

• 2374Abstract/Metrics
• 1554 PDF(2071KB)

• Synthesis and Electrochemical Performance of LiCoPO₄ by Sol-Gel Method
• WANG Shao-Liang, TANG Zhi-Yuan, SHA Ou, YAN Ji
• High potential cathode material LiCoPO₄ was synthesized by sol-gel method. The effects of different sintering condition...
• 2012, 28 (02): 343-348 DOI: 10.3866/PKU.WHXB201111031

• 2416Abstract/Metrics
• 1596 PDF(1051KB)

• High Rate Capability and Cycling Stability of Li_1.07Mn_1.93O₄ Nanoflakes Synthesized via Gel-Combustion Method
• MAO Jing, DAI Ke-Hua, ZHAI Yu-Chun
• Li_1.07Mn_1.93O₄ nanoflakes were synthesized by a gel-combustion method using polyvinylpyrrolidone ...
• 2012, 28 (02): 349-354 DOI: 10.3866/PKU.WHXB201112052

• 2827Abstract/Metrics
• 1277 PDF(716KB)

• Application of Nanoporous Perovskite La_1-xCa_xCoO₃ in an Al-H₂O₂ Semi Fuel Cell
• ZHUANG Shu-Xin, LIU Su-Qin, ZHANG Jin-Bao, TU Fei-Yue, HUANG Hong-Xia, HUANG Ke-Long, LI Yan-Hua
• Perovskite-type series of compounds La_1-xCa_xCoO₃ (x=0.2, 0.4, 0.5) wer...
• 2012, 28 (02): 355-360 DOI: 10.3866/PKU.WHXB201111293

• 2095Abstract/Metrics
• 1266 PDF(1022KB)

• Restructured Carbon Aerogels and Their Electrochemical Performances
• XU Zi-Jie, JI Tao, ZHAO Lei, WANG Wei-Yan, YANG Chun-Yan, GAN Li-Hua
• Restructured carbon aerogels (RCAs) were obtained by annealing carbon aerogels (CAs) in sodium melt at 800 °C for 3 h and the ...
• 2012, 28 (02): 361-366 DOI: 10.3866/PKU.WHXB201112063

• 2548Abstract/Metrics
• 1384 PDF(954KB)

• Activated Carbon-Based Supercapacitors Using Li₂SO₄ Aqueous Electrolyte
• SUN Xian-Zhong, ZHANG Xiong, ZHANG Da-Cheng, MA Yan-Wei
• In this work, we prepared activated carbon-based symmetric supercapacitors using Li₂SO₄ aqueous electrolyte ...
• 2012, 28 (02): 367-372 DOI: 10.3866/PKU.WHXB201112131

• 3002Abstract/Metrics
• 2038 PDF(730KB)

• Electropolymerization and Characterization of Fast Charge-Discharge PPy/F-SWNTs Composite Materials
• ZHU Jian-Bo, XU You-Long, WANG Jie, WANG Jing-Ping
• Fast charge-discharge composite materials of conducting polypyrrole and functionalized single-walled carbon nanotubes doped with <...
• 2012, 28 (02): 373-380 DOI: 10.3866/PKU.WHXB201112021

• 5670Abstract/Metrics
• 2106 PDF(3650KB)

• Photoelectric Properties of Mo Doped TiO₂ Thin Films Deposited by DC Reactive Magnetron Sputtering
• YAN Bing-Xi, LUO Sheng-Yun, SHEN Jie
• Nanocrystalline TiO₂ thin films doped with different concentrations of Mo were deposited by direct current (DC) reactiv...
• 2012, 28 (02): 381-386 DOI: 10.3866/PKU.WHXB201112123

• 2257Abstract/Metrics
• 1271 PDF(2011KB)

• Glycerol-Assisted Synthesis and Electrochemical Properties of Co₃O₄ Nanowires
• ZHANG Guo-Liang, ZHAO Dan, GUO Pei-Zhi, WEI Zhong-Bin, ZHAO Xiu-Song
• Cobalt oxide (Co₃O₄) nanowires were controllably synthesized using glycerol and Co(NO₃)₂
• 2012, 28 (02): 387-392 DOI: 10.3866/PKU.WHXB201111241

• 3336Abstract/Metrics
• 1638 PDF(1052KB)

• Anticorrosion Properties of Modified Nano-TiO₂ Films Prepared by Sol-Gel Method
• ZHU Yan-Feng, ZHANG Juan, ZHANG Yi-Yong, DING Min, QI Hai-Qing, DU Rong-Gui, LIN Chang-Jian
• TiO₂ and B-Fe-Ce-modified TiO₂ films were synthesized on the surfaces of 316L stainless steel (316L SS) subs...
• 2012, 28 (02): 393-398 DOI: 10.3866/PKU.WHXB201112163

• 2781Abstract/Metrics
• 1256 PDF(1777KB)

• Steric Effect of Alkyl Substituted Piperidin-4-one Oximes for Corrosion Control of Mild Steel in H₂SO₄ Medium
• SENTHILKUMAR Annamalai, THARINI Kumaravel, SETHURAMAN Mathur Gopalakrishnan
• Three synthesized piperidin-4-one oximes, 3-ethyl-2,6-diphenyl-piperidin-4-one oxime (A), 1- methyl-3-isopropyl-2,6-diphenyl-piper...
• 2012, 28 (02): 399-406 DOI: 10.3866/PKU.WHXB201112142

• 1721Abstract/Metrics
• 1352 PDF(1158KB)

• Corrosion Protection of Ceria Particles in Mg-Rich Primer on AZ91D Magnesium Alloy
• WANG Ya-Ping, ZHAO Xu-Hui, LU Xiang-Yu, ZUO Yu
• The effect of ceria particles on the corrosion resistance of Mg-rich primer on AZ91D magnesium alloy was studied using the Machu t...
• 2012, 28 (02): 407-413 DOI: 10.3866/PKU.WHXB201112164

• 2422Abstract/Metrics
• 1110 PDF(2531KB)

• Initial Behavior of the Electroless Nickel Deposition on Pretreated Aluminum
• YANG Li-Kun, YANG Fang-Zu, TIAN Zhong-Qun, ZHOU Shao-Min
• The initial behavior of electroless nickel deposition on aluminum pretreated by nickel immersion and electroless nickel pre-platin...
• 2012, 28 (02): 414-420 DOI: 10.3866/PKU.WHXB201112011

• 2307Abstract/Metrics
• 1381 PDF(1469KB)

• Electrochemical Oxidation of p-Methoxy Toluene in BMIMBF4 Ionic Liquid
• ZHU Ying-Hong, ZENG Hong-Yan, LI Shan-Shan, LU Zai-Xiang, MA Chun-An
• The electrochemical oxidation behavior of p-methoxy toluene was studied in an ionic liquid of 1-butyl-3-methylimidazolium...
• 2012, 28 (02): 421-426 DOI: 10.3866/PKU.WHXB201112122

• 2704Abstract/Metrics
• 1152 PDF(892KB)

SOFT MATTER

• Preparation and Micro-Tribological Study on Dually Mixed Self-Assembled Monolayers
• LIU Lei, SONG Shi-Yong, ZHANG Ping-Yu
• A series of dually mixed self-assembled monolayers were prepared by a simple step-by-step method. Four carbonyl chlorides with dif...
• 2012, 28 (02): 427-432 DOI: 10.3866/PKU.WHXB201111213

• 2203Abstract/Metrics
• 1011 PDF(1134KB)

CATALYSIS AND SURFACE SCIENCE

• In situ Infrared Characterization of Methanol Adsorption on ZrO₂ Modified Cu Catalysts
• WU Gui-Sheng, MAO Dong-Sen, LU Guan-Zhong, CAO Yong, FAN Kang-Nian
• The adsorption and reaction of methanol on Cu and ZrO₂/Cu were investigated using in situ infrared diffuse ref...
• 2012, 28 (02): 433-436 DOI: 10.3866/PKU.WHXB201112062

• 2540Abstract/Metrics
• 890 PDF(450KB)

• Enhanced MnO₂ Nanorods to CO and Volatile Organic Compounds Oxidative Activity by Platinum Nanoparticles
• WU Xiao-Qin, ZONG Rui-Long, ZHU Yong-Fa
• Pure-phase α-MnO₂ and δ-MnO₂ nanorods were synthesized through an easy solution-based hydrotherm...
• 2012, 28 (02): 437-444 DOI: 10.3866/PKU.WHXB201112082

• 3986Abstract/Metrics
• 1268 PDF(2732KB)

• Preferential Oxidation of CO over Photoreduced Pt/TiO₂ Catalysts in H₂-Rich Stream
• WANG Fang, WANG Cai-Hong, LIU Guo-Xia
• The optimum reaction parameters for CO oxidation in the presence and absence of H₂ have been investigated by photoreduc...
• 2012, 28 (02): 445-449 DOI: 10.3866/PKU.WHXB201111244

• 2136Abstract/Metrics
• 1266 PDF(462KB)

• Hydrogen Evolution by Photocatalytic Steam Reforming of Methane over Pt/TiO₂
• LI Cao-Long, CHEN Wei, YUAN Jian, SHANGGUAN Wen-Feng
• Photocatalytic reaction of CH₄ gas with H₂O vapor over Pt/TiO₂ at around room temperature (ca 323...
• 2012, 28 (02): 450-456 DOI: 10.3866/PKU.WHXB201112141

• 2572Abstract/Metrics
• 1963 PDF(633KB)

• Photocatalytic Property and Reaction Mechanism of (Ni-Mo)/TiO₂ Nano Thin Film Evaluated with Congo Red
• LI Ai-Chang, LI Gui-Hua, ZHENG Yan, FENG Ling-Ling, ZHENG Yan-Jun
• (Ni-Mo)/TiO₂ composite thin films were prepared by composite electroplating at a constant current. The surface morpholo...
• 2012, 28 (02): 457-464 DOI: 10.3866/PKU.WHXB201112081

• 2969Abstract/Metrics
• 1338 PDF(873KB)

PHOTOCHEMISTRY AND RADIATION CHEMISTRY

• Synthesis, Fluorescence and DNA Photocleavage Activity of Phenothiazine-Corrole Gallium(III) Complexes
• SHI Lei, JIANG Huan-Feng, YIN Wei, WANG Hua-Hua, WANG Hui, ZHANG Lei, JI Liang-Nian, LIU Hai-Yang
• Phenothiazine (PTZ)-corrole dyads 1-3 and their gallium(III) complexes 4-6 have been synthesized and characterized. The steady-sta...
• 2012, 28 (02): 465-469 DOI: 10.3866/PKU.WHXB201111291

• 2510Abstract/Metrics
• 1167 PDF(607KB)

BIOPHYSICAL CHEMISTRY

• Effects of Rare Earth Ions on the Interaction between Nano TiO₂ and Bovine Serum Albumin in the Presence of Ultrasound
• GAO Xiao-Ya, WEN Wen, SONG Zhi-Ying, ZHANG Ai-Ping, HAO Juan, HUANG Qian
• The effects of rare earth ions (La³⁺ , Gd³⁺ , Yb³⁺ ) on the interactions between nano TiO₂
• 2012, 28 (02): 470-478 DOI: 10.3866/PKU.WHXB201112051

• 2530Abstract/Metrics
• 1260 PDF(1150KB)

• Effect of α-Synuclein (1-17) Peptide for Cu²⁺-Bound and Metal-Free Forms by Molecular Dynamics Simulations
• CAO Jian, CAO Zan-Xia, ZHAO Li-Ling, WANG Ji-Hua
• The Cu²⁺-bound and metal-free α-synuclein (1-17) peptides were simulated with the GROMOS 43A1 force fiel...
• 2012, 28 (02): 479-488 DOI: 10.3866/PKU.WHXB201111231

• 2684Abstract/Metrics
• 1765 PDF(1807KB)

PHYSICAL CHEMISTRY OF MATERIALS

• Microstructure, Electrical and Gas Sensing Properties of Meso-Porous Silicon and Macro-Porous Silicon
• SUN Peng, HU Ming, LI Ming-Da, MA Shuang-Yun
• Two different kinds of porous silicon (PS) were grown by electrochemical corrosion in a double-tank cell on the surface of single-...
• 2012, 28 (02): 489-493 DOI: 10.3866/PKU.WHXB201111212

• 2590Abstract/Metrics
• 1573 PDF(701KB)

• An Optical Microscopy Study on the Solvent-Induced Crystalline Morphology of Ladder Polyphenylsilsesquioxane
• LI Pei-Fang, YAN Shou-Ke, REN Zhong-Jie
• Spherulites of rigid chain ladder polyphenylsilsesquioxane (PPSQ) were produced through solvent-induced crystallization. The influ...
• 2012, 28 (02): 494-498 DOI: 10.3866/PKU.WHXB201111233

• 2365Abstract/Metrics
• 1115 PDF(1158KB)