Table of Contents

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

• 1534Abstract/Metrics
• 1571 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 crystals ...
• 2012, 28 (02): 257-264. DOI: 10.3866/PKU.WHXB201112091

• 3482Abstract/Metrics
• Supporting Info
• 1675 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) and H2L2 (N,N'-bis(3...
• 2012, 28 (02): 265-272. DOI: 10.3866/PKU.WHXB201111251

• 4021Abstract/Metrics
• 1688 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 (S2O32-) was intercalated into a ZnAl layered double hydroxide (LDH), and its oxidation reaction w...
• 2012, 28 (02): 273-282. DOI: 10.3866/PKU.WHXB201111243

• 4757Abstract/Metrics
• 1773 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 nucl...
• 2012, 28 (02): 283-289. DOI: 10.3866/PKU.WHXB201111292

• 3382Abstract/Metrics
• 1733 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-methoxybenzoate; p...
• 2012, 28 (02): 290-296. DOI: 10.3866/PKU.WHXB201112121

• 2825Abstract/Metrics
• 1720 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 influe...
• 2012, 28 (02): 297-302. DOI: 10.3866/PKU.WHXB201112012

• 3379Abstract/Metrics
• 1739 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 cor...
• 2012, 28 (02): 303-308. DOI: 10.3866/PKU.WHXB201112013

• 3459Abstract/Metrics
• 1381 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...
• 2012, 28 (02): 309-314. DOI: 10.3866/PKU.WHXB201111211

• 3402Abstract/Metrics
• 2099 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 di...
• 2012, 28 (02): 315-323. DOI: 10.3866/PKU.WHXB201111232

• 4316Abstract/Metrics
• 1926 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...
• 2012, 28 (02): 324-330. DOI: 10.3866/PKU.WHXB201112061

• 5036Abstract/Metrics
• 2379 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, ...
• 2012, 28 (02): 331-337. DOI: 10.3866/PKU.WHXB201111021

• 9188Abstract/Metrics
• 2685 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 LiFe0.6Mn0.4PO4/C materials were synthesized by a solid-state method. The structures, morphologies, and electro...
• 2012, 28 (02): 338-342. DOI: 10.3866/PKU.WHXB201111242

• 3321Abstract/Metrics
• 1886 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 conditions...
• 2012, 28 (02): 343-348. DOI: 10.3866/PKU.WHXB201111031

• 3216Abstract/Metrics
• 1819 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
• Li1.07Mn1.93O4 nanoflakes were synthesized by a gel-combustion method using polyvinylpyrrolidone (PVP) as the polymer ch...
• 2012, 28 (02): 349-354. DOI: 10.3866/PKU.WHXB201112052

• 3648Abstract/Metrics
• 1630 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 La1-xCaxCoO3 (x=0.2, 0.4, 0.5) were synthesized by a modified amorphous citrate prec...
• 2012, 28 (02): 355-360. DOI: 10.3866/PKU.WHXB201111293

• 2994Abstract/Metrics
• 1553 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 ...
• 2012, 28 (02): 361-366. DOI: 10.3866/PKU.WHXB201112063

• 3476Abstract/Metrics
• 1847 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 instead of H...
• 2012, 28 (02): 367-372. DOI: 10.3866/PKU.WHXB201112131

• 4220Abstract/Metrics
• 2924 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 do...
• 2012, 28 (02): 373-380. DOI: 10.3866/PKU.WHXB201112021

• 7318Abstract/Metrics
• 2788 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) reactive...
• 2012, 28 (02): 381-386. DOI: 10.3866/PKU.WHXB201112123

• 3457Abstract/Metrics
• 1671 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 as reagents and adjustment of t...
• 2012, 28 (02): 387-392. DOI: 10.3866/PKU.WHXB201111241

• 4230Abstract/Metrics
• 2000 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) substrates using...
• 2012, 28 (02): 393-398. DOI: 10.3866/PKU.WHXB201112163

• 3988Abstract/Metrics
• 1621 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-diph...
• 2012, 28 (02): 399-406. DOI: 10.3866/PKU.WHXB201112142

• 2527Abstract/Metrics
• 1529 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 t...
• 2012, 28 (02): 407-413. DOI: 10.3866/PKU.WHXB201112164

• 3383Abstract/Metrics
• 1410 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 ...
• 2012, 28 (02): 414-420. DOI: 10.3866/PKU.WHXB201112011

• 3315Abstract/Metrics
• 1748 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-methylimidazoliu...
• 2012, 28 (02): 421-426. DOI: 10.3866/PKU.WHXB201112122

• 3839Abstract/Metrics
• 1453 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 chloride...
• 2012, 28 (02): 427-432. DOI: 10.3866/PKU.WHXB201111213

• 3095Abstract/Metrics
• 1310 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 reflectance s...
• 2012, 28 (02): 433-436. DOI: 10.3866/PKU.WHXB201112062

• 3453Abstract/Metrics
• 1069 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 hydrothermal method. P...
• 2012, 28 (02): 437-444. DOI: 10.3866/PKU.WHXB201112082

• 4977Abstract/Metrics
• 1665 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 photoreduct...
• 2012, 28 (02): 445-449. DOI: 10.3866/PKU.WHXB201111244

• 3076Abstract/Metrics
• 1467 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 K) was examined in a f...
• 2012, 28 (02): 450-456. DOI: 10.3866/PKU.WHXB201112141

• 3594Abstract/Metrics
• 2532 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 morpholog...
• 2012, 28 (02): 457-464. DOI: 10.3866/PKU.WHXB201112081

• 4077Abstract/Metrics
• 1832 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 ...
• 2012, 28 (02): 465-469. DOI: 10.3866/PKU.WHXB201111291

• 3553Abstract/Metrics
• 1426 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 and bovine serum albumin (BSA...
• 2012, 28 (02): 470-478. DOI: 10.3866/PKU.WHXB201112051

• 3333Abstract/Metrics
• 1537 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 field in the G...
• 2012, 28 (02): 479-488. DOI: 10.3866/PKU.WHXB201111231

• 3587Abstract/Metrics
• 2099 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 ...
• 2012, 28 (02): 489-493. DOI: 10.3866/PKU.WHXB201111212

• 3574Abstract/Metrics
• 1817 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....
• 2012, 28 (02): 494-498. DOI: 10.3866/PKU.WHXB201111233

• 3209Abstract/Metrics
• 1393 PDF(1158KB)