物理化学学报 (Wuli HuaxueXuebao) 第 23 卷第 10 期 (2007 年 10 月 )

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1 物理化学学报 (Wuli HuaxueXuebao) 第 23 卷第 10 期 (2007 年 10 月 ) 目 研 究 论 文 水溶液中 P123 对 CaCO 3 微粒形貌的调控 蒋锡华 曹洁明 郑明波 郭 静 邓少高 陶 杰 (1487) 高效白色磷光有机电致发光器件 李 璐 于军胜 王 军 娄双玲 蒋亚东 李 伟 (1493) Mg Zn 掺杂 AlN 电子结构的第一性原理计算 张丽敏 范广涵 丁少锋 (1498) 氮化硅纳米线制备过程中反应条件的影响 王 峰 郝雅娟 靳国强 郭向云 (1503) 时域反射光谱法研究酰胺鄄醇混合物的介电驰豫 RAMACHANDRANK. SIVAGURUNATHANP. DHARMALINGAMK. MEHROTRAS. C.(1508) PbO 2 阳极在硫酸溶液中的析氧失活行为 曹江林 吴祖成 李红霞 张鉴清 (1515) 阿托伐他汀钙与牛血清白蛋白的相互作用 董社英 薛春霞 黄廷林 (1520) 铁阳极在浓 NaOH 溶液中的极化特征 何伟春 邵海波 陈权启 王建明 张鉴清 (1525) 苯并 [a] 蒽在 TiO 2 颗粒表面的多相光化学反应 沈建东 张士成 连进军 孔令东 陈建民 (1531) 负载金属催化剂 Ir/ 酌鄄粤造 2O 3 对阿维菌素选择加氢反应研究杨 鹏 樊光银 马晓艳 李瑞祥 李贤均 (1537) 卤化氢共振增强多光子电离光谱 王华胜 KVARAN 魣.(1543) SbO x +SnO 2 中间层对 Ti/MnO 2 电极性能的影响 史艳华 孟惠民 孙冬柏 倪永乐 陈 栋 (1553) H + NH 4 + 对 HMX 的 N NO 2 键解离能的影响 王罗新 刘 勇 庹新林 李松年 王晓工 (1560) 水分子团簇分子力场方法的比较研究 张 强 杨忠志 (1565) 疏水改性 MCM 鄄 41 对甲草胺缓释性能的影响 彭 林 喻宁亚 唐群力 邱化玉 尹笃林 银董红 (1572) 电极距离对 4,4 忆鄄联苯二硫酚分子器件非弹性电子隧穿谱的影响 邹 斌 李宗良 宋秀能 刘兰峰 王传奎 (1577) 磁性壳聚糖微球对牛血清白蛋白的吸附性能 朱晨华 沈鹤柏 徐瑞云 王皓月 韩继美 (1583) 10,10 忆鄄二甲基鄄 3,3 忆鄄二磺酸基鄄 9,9 忆鄄双吖啶的电致化学发光行为 黄风华 庄惠生 陈国南 (1589) 取代基对卟吩结构和性质的影响 林英武 王中华 聂长明 倪峰云 (1594) SrTiO 3 纳米四方片状晶体的自组装行为及向立方晶体的转变 苗 静 胡陈果 熊玉峰 韩向宇 奚 伊 (1599) 研 究 简 报 单根一维 TiO 2 纳米线的电子输运性能 孙 岚 左 娟 赖跃坤 聂茶庚 林昌健 (1603) 羧酸盐尿素体系中三价铬电沉积机理 马立文 陈白珍 何新快 (1607) 不同嵌段比的 PEG 鄄 b 鄄 PDMAEMA 共聚物在水溶液中的自聚集行为姚 加 汪 青 童达君 李浩然 (1612) 电沉积 Fe 鄄 W 鄄 ZrO 2 纳米复合镀层的结构与腐蚀行为 马 叙 姚素薇 张卫国 王宏智 (1617) 聚氨酯胶粘剂的热分解动力学 李爱玲 熊金平 左 禹 王成忠 (1622) 5 鄄氟尿嘧啶与牛血清白蛋白的相互作用 王冬冬 孙德志 李林尉 魏新庭 张爱梅 (1627) 铝合金表面超疏水涂层的制备及其耐蚀性能 李松梅 王勇干 刘建华 韦 巍 (1631) 溶剂及器件结构对 MEH 鄄 PPV 与 PCBM 电池性能影响 於黄忠 彭俊彪 (1637) LiTi 2 (PO 4 ) 3 的 Na/Li 离子交换特征 娄太平 王家良 (1642) 硼 / 氮掺杂富勒烯 C 20 的结构和稳定性 梁云霄 水 淼 李榕生 (1647) 空气 / 水界面 2,5 鄄二丙基鄄 4 鄄十一烷基苯磺酸钠的表面动态扩张流变性质 张 磊 王晓春 宫清涛 罗 澜 张 路 赵 濉 俞稼镛 (1652) 次 物理化学学报编辑部 征订启事 ( 封三 ) 本期责任编辑 : 黄 路

2 ACTA PHYSICO 鄄 CHIMICA SINICA Vol. 23 No.10 (23, 2007) CONTENTS MorphologicalControlofCaCO 3 Particles bypluronicp123triblockcopolymerin Aqueous Solution JIANG Xi 鄄 Hua ZHENG Ming 鄄 Bo DENG Shao 鄄 Gao CAO Jie 鄄 Ming GUO Jing TAO Jie Articles High ordered CaCO 3 step 鄄 multilayer assemblies and other multilayer assemblies were synthesized in aqueous solutions of triblock copolymer P123. ActaPhys. 鄄 Chim.Sin., 2007,23(10): High 鄄 efficiencywhitephosphorescent Organic Light 鄄 EmittingDiodes LILu YU Jun 鄄 Sheng WANG Jun LOU Shuang 鄄 Ling JIANG Ya 鄄 Dong LIWei Acta Phys. 鄄 Chim.Sin., 2007,23(10): First 鄄 principles Calculation ofaln Electronic StructurebyDopingwith Mgand Zn White light was obtained through mixing blue and yellow light and unchanged at driving voltage over 8V. ZHANG Li 鄄 Min DING Shao 鄄 Feng FAN Guang 鄄 Han Acta Phys. 鄄 Chim.Sin., 2007,23(10): Effects ofthereaction Conditions in Preparation ofsi 3 N 4 Nanowires WANG Feng JIN Guo 鄄 Qiang HAO Ya 鄄 Juan GUO Xiang 鄄 Yun Acta Phys. 鄄 Chim.Sin., 2007,23(10): Dielectric Relaxation StudyofAmide 鄄 AlcoholMixtures byusingtimedomain Reflectometry RAMACHANDRANK. DHARMALINGAMK. SIVAGURUNATHANP. MEHROTRA S.C. Acta Phys. 鄄 Chim.Sin., 2007,23(10): The p 鄄 type conduction of AlN could be obtained by Mg, Zn substituting for Alatom, and Mg didbetter. Carbonaceous silica xerogels containing different metal additives could produce Si 3 N 4,SiC, or their mixture after carbothermal reduction in nitrogen atmosphere. Using time domain reflectometry (TDR), dielectric relaxation studies were carried out on binary mixtures of amides with alcohols for various concentrations over the frequency range from 10 MHz to 10 GHzat303 K.

3 Inactivation ofpbo 2 Anodesduring Oxygen Evolution in Sulfuric Acid Solution CAO Jiang 鄄 Lin LIHong 鄄 Xia WU Zu 鄄 Cheng ZHANG Jian 鄄 Qing ActaPhys. 鄄 Chim.Sin., 2007,23(10): Interaction between Atorvastatin Calcium and BovineSerumAlbumin DONG She 鄄 Ying HUANG Ting 鄄 Lin XUE Chun 鄄 Xia ActaPhys. 鄄 Chim.Sin., 2007,23(10): Polarization Characteristic of Iron Anode in Concentrated NaOHSolution HEWei 鄄 Chun CHEN Quan 鄄 Qi ZHANG Jian 鄄 Qing SHAO Hai 鄄 Bo WANG Jian 鄄 Ming ActaPhys. 鄄 Chim.Sin., 2007,23(10): Benz[a]anthraceneHeterogeneous PhotochemicalReaction on the Surfaceof TiO 2 Particles SHEN Jian 鄄 Dong LIAN Jin 鄄 Jun CHEN Jian 鄄 Min ZHANG Shi 鄄 Cheng KONG Ling 鄄 Dong Acta Phys. 鄄 Chim.Sin., 2007,23(10): Studyon SelectiveHydrogenation of Avermectin toivermectin overir/ 酌鄄 Al 2 O 3 YANG Peng MA Xiao 鄄 Yan LIXian 鄄 Jun FAN Guang 鄄 Yin LIRui 鄄 Xiang Acta Phys. 鄄 Chim.Sin., 2007,23(10): REMPISpectraoftheHydrogen Halides WANG Hua 鄄 Sheng KVARAN 魣 g 俨 st Acta Phys. 鄄 Chim.Sin., 2007,23(10): Active oxygen atoms occupied the oxygen vacancies in PbO 2.This resulted in the decrease of conductivityand change ofintrinsicstresses. The interaction between atorvastatin calcium (AC) and bovine serum albumin (BSA) was investigated using electrochemical techniques in conjunctionwith spectroscopy. During polarization of iron anode in concentrated NaOH solution, the higherthetemperature, the lowerthe alkalineconcentration,andthegreater the current density, the easier to occurthe passivation ofanode. The main photochemical product of benz[a]anthracene photocatalytic oxidation on the surface oftio 2 particleswasbenz[a]anthracene 鄄 7,12 鄄 dione.thehalf 鄄 lifetimewas6.8min under the simulated sun light irradiation. Catalyst Ir/ 酌鄄 Al 2 O 3 modified with PVP exhibited an excellent activity for the hydrogenation of C 22 襒 C 23 in avermectin, but the further hydrogenation of ivermectin led to the decrease of the selectivity to ivermectin with the increase of conversion. The various peaks or increases in energy gaps between vibrational levels in the V state (the vibrational perturbation) can be viewed as being due to repulsive type shifts of zero approximation vibrational energy levels due to interactions with the vibrational levels in the E state. The appearance of localized peaks and troughs in the energy gap structure suggested that the interaction strength fell rapidly with energy.

4 Effect of SbO x +SnO 2 Intermediate Layer on theproperties ofti 鄄 based MnO 2 Anode SHIYan 鄄 Hua SUN Dong 鄄 Bai CHEN Dong MENG Hui 鄄 Min NIYong 鄄 Le ActaPhys. 鄄 Chim.Sin., 2007,23(10): EffectofH + and NH + 4 on then NO 2 Bond DissociationEnergyofHMX WANG Luo 鄄 Xin LIU Yong TUO Xin 鄄 Lin LISong 鄄 Nian WANG Xiao 鄄 Gong The electrolysis process on Ti/SbO x +SnO 2 /MnO 2 electrodes could be divided into three stages:previous, stable, and de 鄄 active stages. Compared with 茁鄄 HMX, the N NO 2 bond dissociation energies (BDE) of two complexes with H + decreased about 20 kj mol -1 and 82 kj mol -1,respectively, and this BDE of the complex with NH + 4 decreased only about 8kJ mol -1.The H + could promote the initial thermal decomposition of N NO 2 bond of 茁鄄 HMX, but this initial decomposition wasslightlyinfluenced bynh + 4. ActaPhys. 鄄 Chim.Sin., 2007,23(10): AComparativeStudyofWater Clusters byclassicaland PolarizableWater Models ZHANG Qiang YANG Zhong 鄄 Zhi ActaPhys. 鄄 Chim.Sin., 2007,23(10): EffectofHydrophobic Modification on Sustained 鄄 ReleaseProperties ofalachlor/ MCM 鄄 41 PENG Lin YU Ning 鄄 Ya TANG Qun 鄄 Li QIU Hua 鄄 Yu YIN Du 鄄 Lin YIN Dong 鄄 Hong Acomparative study of water clusters by classical and polarizable water models explored the effects of electrostatic polarization and the reasonablenessin currentmodels. Surface hydrophobic modification of the assembly of alachlor 鄄 MCM 鄄 41 gave rise to an efficient sustained 鄄 release system. Acta Phys. 鄄 Chim.Sin., 2007,23(10): Influence of the Distance of Electrodes on theinelastic Electron TunnelingSpectra of4,4 忆鄄 biphenyldithiolmolecular Device ZOU Bin LIZong 鄄 Liang SONG Xiu 鄄 Neng LIU Lan 鄄 Feng WANG Chuan 鄄 Kui The inelastic electron tunneling spectraof4,4 忆鄄 biphenyldithiolmoleculardevice sensitivelydepended on thedistanceofelectrodes. ActaPhys. 鄄 Chim.Sin., 2007,23(10):

5 Adsorption of Bovine Serum Albumin ontomagnetic Chitosan Microspheres ZHU Chen 鄄 Hua XU Rui 鄄 Yun HAN Ji 鄄 Mei SHEN He 鄄 Bai WANG Hao 鄄 Yue ActaPhys. 鄄 Chim.Sin., 2007,23(10): ElectrochemiluminescentBehavior of 10,10 忆鄄 dimethyl 鄄 3,3 忆鄄 disulfo 鄄 9,9 忆鄄 biacridine HUANG Feng 鄄 Hua CHEN Guo 鄄 Nan ZHUANG Hui 鄄 Sheng ActaPhys. 鄄 Chim.Sin., 2007,23(10): Effects ofsubstitution on thestructure and PropertyofPorphin LIN Ying 鄄 Wu WANG Zhong 鄄 Hua NIE Chang 鄄 Ming NIFeng 鄄 Yun ActaPhys. 鄄 Chim.Sin., 2007,23(10): Self 鄄 assemblybehaviorofsrtio 3 Nano 鄄 sheets and Conversion of Sheets into Cubes MIAO Jing HU Chen 鄄 Guo XIONG Yu 鄄 Feng HAN Xiang 鄄 Yu XIYi ActaPhys. 鄄 Chim.Sin., 2007,23(10): ElectricalTransportPropertiesof IndividualTiO 2 Nanowirein One Dimension SUN Lan ZUO Juan LAIYue 鄄 Kun NIE Cha 鄄 Geng LIN Chang 鄄 Jian Notes The magnetic chitosan nanoparticles were prepared in microemulsion, and their adsorption ability to the bovine serum albumin was investigated. The electrochemiluminescence behaviour and mechanism of a new reagent 10,10 忆鄄 dimethyl 鄄 3,3 忆鄄 disulfo 鄄 9, 9 忆鄄 biacridine werestudied. Substitution effects on structure and property of porphin were investigated theoretically to model different interactions between heme and proteinresidues. The SrTiO 3 crystals synthesized by composite 鄄 hydroxide 鄄 mediated method were assembled by lots of regularnano 鄄 sheets.. Atomic force microscopy (AFM) technique was applied to measure current 鄄 voltage characteristics of individualtio 2 nanowire. ActaPhys. 鄄 Chim.Sin., 2007,23(10): MechanismofCr(III)Electrodeposi 鄄 tion in Carboxylic Acid 鄄 UreaSystem MA Li 鄄 Wen HEXin 鄄 Kuai CHEN Bai 鄄 Zhen ActaPhys. 鄄 Chim.Sin., 2007,23(10): Some typical electrochemical methods and mathematical reasoning were used to study the mechanism of Cr(III) electrodeposition in carboxylicacid-urea system.

6 Self 鄄 aggregation Behavior ofpeg 鄄 b 鄄 PDMAEMACopolymers with Different Block Ratios in Aqueous Solution YAO Jia WANG Qing TONG Da 鄄 Jun LIHao 鄄 Ran PEG-b-PDMAEMA polymers with varied molar ratios of PEG and PDMAEMA had different thermoresponsive aggregationbehaviors. ActaPhys. 鄄 Chim.Sin., 2007,23(10): Structureand Corrosion Behavior of Electrodeposited Fe 鄄 W 鄄 ZrO 2 Nano 鄄 compositecoatings MA Xu YAO Su 鄄 Wei ZHANG Wei 鄄 Guo WANG Hong 鄄 Zhi In comparison with Fe-W amorphous alloy, new Fe-W-ZrO 2 nanocomposite coatings possessed higher corrosion resistance and fewer surface cracks. ActaPhys. 鄄 Chim.Sin., 2007,23(10): ThermalDecomposition Kinetics ofpolyurethaneadhesive LIAi 鄄 Ling ZUO Yu XIONG Jin 鄄 Ping WANG Cheng 鄄 Zhong ActaPhys. 鄄 Chim.Sin., 2007,23(10): Interactions between5 鄄 fluorouraciland BovineSerumAlbumin WANG Dong 鄄 Dong SUN De 鄄 Zhi LILin 鄄 Wei WEIXin 鄄 Ting ZHANG Ai 鄄 Mei ActaPhys. 鄄 Chim.Sin., 2007,23(10): Preparation of Superhydrophobic Coating on AluminumAlloywith ItsAnti 鄄 Corrosion Property LISong 鄄 Mei LIU Jian 鄄 Hua WANG Yong 鄄 Gan WEIWei ActaPhys. 鄄 Chim.Sin., 2007,23(10): InfluenceoftheSolventand Device Structureon theperformanceofthe MEH 鄄 PPV:PCBM Solar Cell YU Huang 鄄 Zhong PENG Jun 鄄 Biao ActaPhys. 鄄 Chim.Sin., 2007,23(10): The thermal behavior of polyurethane adhesive in air atmosphere was investigated by thermogravimetry (TG) and derivative thermogravimetry(dtg). The lifetime estimate indicated the maximum lifetime of polyurethane under 35 益 in airtobe10years. The interactions between 5-fluorouracil and BSA were investigated by the isothermal titration calorimetry and the circular dichroism spectrometry. Modified with silane coupling reagent, the surface of nano-sio 2 was grafted with hydrophobic alkyl chain. After SiO 2 bonding on the surface of polyurethane, the rough surface was fabricated and achieved superhydrophobility. The photovoltaic performances were dependent on the device structure and spin coating solvents. Inserting of PEDOT:PSS (4083)(poly 3,4 鄄 ethylenedioxythiophene):poly(styrene sulphonic acid)) layer and adopting LiF/Al cathode increased the device performance, the 2-chlorinebenzene solvent was advantageous to the formation ofgood bodyheterojunction.

7 Ion ExchangeBehavior ofna/lifor thelithiumion Conductor ofliti 2 (PO 4 ) 3 LOU Tai 鄄 Ping WANG Jia 鄄 Liang Higher temperature, acid or alkali environment could enhance the dissolution of LiTi 2 (PO 4 ) in distilled water and NaClsolution. ActaPhys. 鄄 Chim.Sin., 2007,23(10): Structuresand Stabilities ofboron/ Nitrogen 鄄 Doped FullereneC 20 LIANGYun 鄄 Xiao LIRong 鄄 Sheng SHUIMiao ActaPhys. 鄄 Chim.Sin., 2007,23(10): DynamicDilationalProperties of2,5 鄄 dipropyl 鄄 4 鄄 undecylbenzenesulfonate attheair/water Interface ZHANG Lei WANG Xiao 鄄 Chun GONG Qing 鄄 Tao LUO Lan ZHANG Lu ZHAO Sui YU Jia 鄄 Yong DFT calculations demonstrated that thetwo moststable isomers ofc 18 B 2, 1,14 鄄 C 18 B 2 and 1,3 鄄 C 18 B 2,were highlystablesmallheterofullerenes. The in-surface process dominated film nature at lower surface pressure, while the diffusion-exchange processoperatedathigherone. ActaPhys. 鄄 Chim.Sin., 2007,23(10):

8 物理化学学报 编辑委员会 The EditorialCommitteeofActa Physico 鄄 ChimicaSinica 顾 问 (AdvisoryBoard) 吴征铠 (WU Zheng 鄄 Kai) 田昭武 (TIAN Zhao 鄄 Wu) 主 任 (Editor 鄄 in 鄄 Chief) 唐有祺 (TANG You 鄄 Qi) 副主任 (AssociateEditor 鄄 in 鄄 Chief) 韩德刚 (HAN De 鄄 Gang) 张存浩 (ZHANG Cun 鄄 Hao) 楼南泉 (LOU Nan 鄄 Quan) 江元生 (JIANG Yuan 鄄 Sheng) 赵新生 (ZHAO Xin 鄄 Sheng) 委 员 (Members oftheexecutivecommittee) 包信和 BAO Xin 鄄 He 蔡文斌 CAIWen 鄄 Bin 陈 晓 CHEN Xiao 戴海龙 DAIHai 鄄 Lung 房 喻 FANG Yu 冯楚德 FENGChu 鄄 De 付贤智 FU Xian 鄄 Zhi 高 滋 GAO Zi 郭 荣 GUO Rong 郭向云 GUO Xiang 鄄 Yun 韩布兴 HAN Bu 鄄 Xing 韩克利 HAN Ke 鄄 Li 韩世钧 HAN Shi 鄄 Jun 黄建滨 HUANG Jian 鄄 Bin 侯建国 HOU Jian 鄄 Guo 江 龙 JIANG Long 来鲁华李浩然黎乐民李象远李晓原梁敬魁刘鸣华刘若庄刘世林缪方明庞代文彭少逸沈伟国孙世刚万立骏汪汉卿 LAI Lu 鄄 Hua LIHao 鄄 Ran LILe 鄄 Min LIXiang 鄄 Yuan LIXiao 鄄 Yuan LIANG Jing 鄄 Kui LIU Ming 鄄 Hua LIU Ruo 鄄 Zhuang LIU Shi 鄄 Lin MIAO Fang 鄄 Ming PANG Dai 鄄 Wen PENG Shao 鄄 Yi SHEN Wei 鄄 Guo SUN Shi 鄄 Gang WAN Li 鄄 Jun WANG Han 鄄 Qing 王振纲 WANG Zhen 鄄 Gang 吴国是 WU Guo 鄄 Shi 吴 凯 WU Kai 夏春谷 XIA Chun 鄄 Gu 夏兴华 XIA Xing 鄄 Hua 肖丰收 XIAO Feng 鄄 Shou 谢晓亮 XIE Xiao 鄄 Liang 薛其坤 XUE Qi 鄄 Kun 杨伟涛 YANG Wei 鄄 Tao 张建平 ZHANG Jian 鄄 Ping 赵学庄 ZHAO Xue 鄄 Zhuang 郑兰荪 ZHENG Lan 鄄 Sun 周家驹 ZHOU Jia 鄄 Ju 周鸣飞 ZHOU Ming 鄄 Fei 朱晓阳 ZHU Xiao 鄄 Yang 朱永法 ZHU Yong 鄄 Fa 物理化学学报 (WULI HUAXUE XUEBAO) 第 23 卷第 10 期 ( ) ACTA PHYSICO 鄄 CHIMICA SINICA,Vol.23,No.10(October,2007) 月刊 (1985 年创刊 ) Monthly (Firstvolume appeared in 1985) 编辑出版者北京大学化学与分子工程学院 Editor and Publisher: Editorial Board of 地址北京大学化学楼 ( 邮政编码 ) (Wuli Huaxue Xuebao) 电话 (010) , (010) Address: Chemistry Building 传真 (010) Peking University 主编唐有祺 Beijing , China 主管单位中国科学技术协会 Tel: 鄄 印刷者北京晨光印刷厂 Fax: 鄄 国内总发行北京报刊发行局 Chief Editor: TANG You 鄄 Qi 国内订购 国外发行 广告许可证号 物理化学学报 编辑部 全国各邮局 中国国际图书贸易总公司 Code No 1443 鄄 MO 京海工商广字第 8110 号 Printer: Distributor: Acta Physico 鄄 ChimicaSinica Beijing Chenguang Printing House China International Book Trading Corporation(Code No 1443 鄄 MO) E 鄄 mail: whxb@pku.edu.cn Website 定价 : 元 2007 年 10 月 15 日出版国内邮发代号 : 82 鄄 163

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