姓 名 張冬菊

　　性 別 女

　　出生日期 1964.12

　　職 稱 教授(博導(dǎo))

　　研究類別 物理化學(xué)

　　工作單位 物理化學(xué)和電化學(xué)研究中心

　　1995.09-1998.07　山東大學(xué)化學(xué)院理論化學(xué)研究所碩士研究生，

　　導(dǎo)師：劉成卜教授；

　　1998.09-2002.07　山東大學(xué)化學(xué)院理論化學(xué)研究所博士研究生，

　　導(dǎo)師：劉成卜教授；

　　2002.08-2004.08　香港城市大學(xué)物理與材料科學(xué)系從事博士后研究。

　　結(jié)構(gòu)化學(xué)(本科化學(xué)、應(yīng)化和化學(xué)雙學(xué)位專業(yè))

　　量子化學(xué)軟件與應(yīng)用（研究生）

研究領(lǐng)域和興趣

　　1.電子轉(zhuǎn)移反應(yīng)動(dòng)力學(xué)理論研究；

　　2.小分子及團(tuán)簇的結(jié)構(gòu)、性質(zhì)及化學(xué)反應(yīng)的理論研究；

　　3.低維材料的微觀結(jié)構(gòu)及生長(zhǎng)機(jī)理的計(jì)算機(jī)模擬。

　　64. Guixiu Wang, Rongxiu Zhu, Dongju Zhang*, Chengbu Liu

　　Theoretical study of on the dark oxidation reaction mechanism of ethers

　　Chin. J. Struct. Chem, 2006, 25, 1402-1408.

　　63. 郭冠倫，朱榮秀，張冬菊*，劉成卜

　　二元硅氧環(huán)與CFn (n=1-3)自由基反應(yīng)的理論研究

　　化學(xué)學(xué)報(bào), 2006, 20, 2046-2050.

　　62. Dongju Zhang*, Guanlun Guo, Chengbu Liu, Zhang R. Q.

　　Density Functional Theory Study of Geometrical Structures and Electronic Properties of Silica Nanowires

　　J. Phys. Chem. B. (Letter); 2006, 110, 23633-23636.

　　61. Chong Zhang, Ruifang Li, Dongju Zhang, Chengbu Liu et al

　　Theoretical explorations on BN-doped armchair single-walled carbon nanotubes

　　J. Mol. Struct. (THEOCHEM), 2006, 765, 1-11.

　　60. Yuanhua Qi, Daren Guan, Yuansheng Jiang, Chengbu Liu, Dongju Zhang

　　Theoretical study of the electronic transport property of the hydrogen-Pt contact system

　　Appl. Phys. Lett. 2006, 89, 182119-182121.

　　59. Ruoxi Wang, Dongju Zhang, Bin Zheng, Zhongnan Qi , Chengbu Liu

　　Theoretical study of siliconu2013oxygenu2013sulfur ionic oligomers (SiOS)n+ and (SiOS)n- (n = 1u20136)

　　J. Mol. Struct. (THEOCHEM), 2006, 772, 13-21.

　　58. Guixiu Wang, Rongxiu Zhu, Dongju Zhang*, Chengbu Liu

　　Theoretical study of the dark-oxidation reaction mechanisms for organic polymers

　　Chem. Phys. Lett. 2006, 427, 35-40.

　　57. Rongxiu Zhu, Dongju Zhang, Jian Wu, Chengbu Liu

　　Theoretical study of the bifunctional-urea catalyzed Michael reaction of 1,3-dicarbonyl compounds and nitroolefins: reaction mechanism and enantioselectivity

　　Tetrahedron-asymmetry, 2006, 17, 1611-1616.

　　56. Dongju Zhang*, R. Q. Zhang

　　Silica Nanoarchitectures with Tailored Pores Based on the Hybrid Three- and Four-Membered Rings

　　J. Phys. Chem. B 2006, 110, 15269-15274.

　　55. Dongju Zhang*, Jian Wu, R. Q. Zhang, Chengbu Liu

　　A Family of Stable Silica Fullerenes with Fully Coordinated Structures

　　J. Phys. Chem. B 2006, 110, 17757-17762.

　　54. Ruoxi Wang, Dongju Zhang, Yuemei Zhang, Chengbu Liu

　　Boron-Doped Carbon Nanotubes serving as a Novel Chemical Sensor for Formaldehyde

　　J. Phys. Chem. B, 2006, 110, 18267-18271.

　　53. Dongju Zhang*, Guanlun Guo, Chengbu Liu

　　A new route for stabilizing silicon fullerenes

　　J. Phys. Chem. B , 2006, 110, 14619-14622.

　　52. Yuemei Zhang, Dongju Zhang, Chengbu Liu

　　Novel Chemical Sensor for Cyanides: Boron-Doped Carbon Nanotubes

　　J. Phys. Chem. B , 2006, 110, 4671-4674.

　　51. Xianjie Lin, Dongju Zhang, Chengbu Liu

　　Computational evidence for the smallest boron nanotube

　　Chin. Chem. Lett. 2006, 17, 851-852.

　　50. Dongju Zhang*, Rongxiu Zhu, Chengbu Liu

　　Density functional theory study on the geometrical and electronic structures of a new thinest boron nanotubes

　　J. Mater. Chem. 2006, 16, 2429-2433.

　　49. Dongju Zhang*, R. Q. Zhang, Zhe Han, Chengbu Liu

　　A synthetic route towards well-defined stoichiometric silica fullerene and nanotubes based on the metastable four-membered rings

　　J. Phys. Chem. B, 2006, 110, 8992-8997.

　　48. Xuebing Fu, Chong Zhang, Dongju Zhang*, Shiling Yuan

　　Theoretical evidence for the reaction of N-methyl-2-

　　pyrrolidinone with carbon disulfide

　　Chem. Phys. Lett. 2006, 420, 162-165.

　　47. Dongju Zhang, R. Q. Zhang

　　A Structural Model of Silica Nanowire Assembled from a

　　Highly Stable (SiO2)8 unit

　　J. Phys. Chem. B, 2006, 110, 1338-1343.

　　46. Shiling Yuan, Xiuqing Zhang, Guiying Xu, Dongju Zhang

　　Mesoscopic simulation study on a weakly charged block polyelectrolyte in aqueous solution

　　J. Mol. Model, 2006, 12, 406-410.

　　45. Youmin Sun, Chengbu Liu, Zhongnan Qi, Dongju Zhang

　　Theoretical study on magneto-structural correlation in trinuclear copper(II) complexes with the oxamato bridge

　　J. Mol. Struct. (THEOCHEM), 2005, 718, 49-53.

　　44. Ruoxi Wang, Dongju Zhang, Chengbu Liu

　　Theoretical prediction of a novel inorganic fullerene-like

　　family of silicon-carbon materials

　　Chem. Phys. Lett. 2005, 411, 333-338.

　　43.Dongju Zhang, Xuebing Fu, RuoxiWang, Chengbu Liu

　　Theoretical study of the reaction of titanium ion with

　　ethane-Structure, mechanism, and potential energy surface

　　Can. J. Chem. 2005, 83, 485.

　　42.張冬菊碳納米管為基礎(chǔ)的氣敏器件的計(jì)算機(jī)輔助設(shè)計(jì)

　　《國(guó)際學(xué)術(shù)動(dòng)態(tài)》2005, 4, 39.

　　41.Dongju Zhang, R. Q. Zhang

　　Geometrical structures and electronic properties of AlN

　　fullerenes: A comparative theoretical study of AlN fullerenes

　　with BN and C fullerenes, J. Mater. Chem. 2005, 15, 3034.

　　40.Dongju Zhang, R. Q. Zhang

　　Signature of nanodiamond in Raman spectrum: a density

　　functional theoretical Study

　　J. Phys. Chem. B 2005, 109,9006.

　　39.Dongju Zhang, Ruoxi Wang, Rongxiu Zhu

　　A New Pathway for Activation of C-C and C-H Bonds by

　　Transition Metals in the Gas Phase

　　Aust. J. Chem. 2005, 58, 82.

　　38.Ruoxi Wang, Dongju Zhang, Chengbu Liu

　　Theoretical study of silicon-oxygen-sulfur oligomers (SiOS)

　　(n) (n=1-6)

　　Chem. Phys. Lett. 2005, 404, 237.

　　37.Dongju Zhang, M. W. Zhao, R. Q. Zhang

　　Two- and three-membered-ring hybrid structures of silica

　　nanoclusters

　　J. Phys. Chem. B 2004, 108, 18451.

　　36.Dongju Zhang, R. Q. Zhang,

　　A structural model of one-dimensional thin silica nanowires

　　Chem. Phys. Lett. 2004，394，437.

　　35.R. Q. Zhang, Dongju Zhang, Y. L. Zhao, S. T. Lee

　　Fluorination Induced Etching Selectivity of Boron Nitride

　　Phases

　　J. Phys. Chem. B 2004，108，7597

　　34.Dongju Zhang, R. Q. Zhang, W.M. Chan, K.S. Chan

　　Roles of carbon and nitrogen hydride species on the wurtzite

　　AlN(0001) surface

　　Diam. Relat. Mater. 2004, 13, 425-432.

　　33.Dongju Zhang, Chengbu Liu, Siwei Bi, Shiling Yuan

　　A Comprehensive Theoretical Study on the Reactions of Sc+

　　with CnH2n+2 (n=1-3): Structure, Mechanism and Potential

　　Energy Surface

　　Chem. Eur. J. 2003, 9, 484-501.

　　32.Chengbu Liu, Dongju Zhang, Wensheng Bian

　　Theoretical investigation of the reactions of Co+ with OCS

　　J. Phys. Chem. A 2003, 107, 8618-8622.

　　31.Dongju Zhang, Chengbu Liu, Wensheng Bian

　　Theoretical investigation of the reactions of Fe+ with OCS

　　J. Phys. Chem. A 2003, 107, 8955-8960.

　　30.Dongju Zhang, Ruiqin Zhang

　　Theoretical Prediction on Aluminum Nitride Nanotubes

　　Chem. Phys. Lett. 2003, 371, 426-432.

　　29.Dongju Zhang, Chengbu Liu, Wensheng Bian

　　Novel Insight into the Mechanism of the Reaction of Fe+

　　with Ethane

　　J. Mol. Struct. (THEOCHEM) 2003, 635，239.

　　28.張冬菊，馮大誠(chéng)

　　釩離子與乙烷反應(yīng)的理論研究

　　化學(xué)學(xué)報(bào)，2003, 61,17.

　　27.Minwen Zhao, Yueyuan Xia, Donju Zhang, Liangmo Mei

　　Stability and electronic structure of AlN nanotubes

　　Phys. Rev. B 2003, 68, 235415.

　　26.Dongju Zhang, Chengbu Liu, Siwei Bi.

　　Density Functional Studies of the Reactions of Lanthanide

　　monocations with Fluoromethane: C-F Bond Activation and

　　Electron-Transfer Reactivity.

　　J. Phys. Chem. A 2002, 106, 4153.

　　25.Dongju Zhang, Chengbu Liu

　　Reorganization Criterions and Their Effects on Inner-Sphere

　　Barriers for Transition Metal Redox Pairs M(H2O)62+/3+ (M= V,

　　Cr, Mn, Fe and Co ).

　　New J. Chem. 2002, 26, 361.

　　24.Jiang Nan, Dongju Zhang*

　　Theoretical Study of the Reaction of Fe+ with CS2 in Gas phase

　　Chem. Phys. Lett. 2002, 366, 253.

　　23.Yan Ren, Xiaoqiang Yu, Dongju Zhang, Dong Wang, Mingliang

　　Zhang, Guibao Xu,Xian Zhao, Yupeng Tian, Zongshu Shao,

　　Minghua Jiang

　　Synthesis, structure and properties of a new two-photon

　　photopolymerization initiator

　　J. Mater. Chem. 2002, 12, 3431.

　　22.Dongju Zhang, Yongjun Liu, Haiquan Hu, Chengbu Liu

　　Inner-Sphere Reorganization for Redox Pairs M(H2O)62+/3+ (M=

　　Mn, Fe and Co ): Models and Calculations.

　　Int. J. Quantum Chem. 2002, 86, 468.

　　21.Dongju Zhang, Chengbu Liu, Yongjun Liu, Haiquan Hu

　　Density Functional Study on the Reaction Mechanism for the

　　Reaction of Ni+ with Ethane.

　　Chinese J. Chem. 2002, 20, 220.

　　20.Dongju Zhang, Chengbu Liu.

　　Density Functional Studies of the Reaction of Ytterbium

　　Monocation with Fluoromethane: C-F Bond Activation and

　　Electron-Trnsfer Reactivity.

　　Chin. Chem. Lett. 2002, 4, 359.

　　19.張冬菊，張長(zhǎng)橋，劉成卜

　　過(guò)渡金屬離子與烷烴反應(yīng)機(jī)理的理論研究―鎳離子與丙烷反應(yīng)中氫分子的還原消除

　　機(jī)理

　　高等學(xué)�；瘜W(xué)學(xué)報(bào)，2002, 23, 876.

　　18.張冬菊、宋其圣、劉成卜

　　吩噻嗪與四甲基哌啶氧銨正離子的電子轉(zhuǎn)移反應(yīng)動(dòng)力學(xué)研究

　　結(jié)構(gòu)化學(xué)，2002, 21, 325.

　　17.Liu Yongjun, Hu haiquan, Zhang Dongju, Liu Chengbu

　　ZINDO-SOS Studies on Second-order Nonlinear Optical

　　Properties of Thiophene S,S-Dioxide Chromophores.

　　Chem. Res. Chinese U. 2002, 18, 42.

　　16.Dongju Zhang, Changqiao Zhang, Chengbu Liu.

　　Density Functional Studies of the Reactivity in the C-F Bond

　　Activation of Fluoromethane by Bare Lanthanum Monocation.

　　J. Organomet. Chem. 2001, 640, 121.

　　15.Qingzhu Zhang, Dongju Zhang, Shaokun Wang, Yueshu Gu

　　Ab initio and kinetic calculations for the reactions of

　　H with CH3)(4-n)GeHn (n=1-4)

　　J. Phys. Chem. A 2001, 106, 122.

　　14.Haiquan Hu, Dongju Zhang, Yongjun Liu，Chengbu Liu

　　Magnetic Coupling Mechanism in Singly Bridged Binuclear

　　Systems

　　Chem. Phys. Lett. 2001, 340, 370.

　　13.Haiquan Hu, Yonjun Liu, Dongju Zhang, Chengbu Liu

　　Effect of structural and chemical parameters on magnetic

　　coupling in hydroxo-bridged Cu(II) dimmer

　　J. Mol. Struct. (THEOCHEM), 2001, 546, 73.

　　12.Dongju Zhang, Haiquan Hu, Yongjun Liu, Chengbu Liu

　　The electron transfer reaction for Co(H2O)62+/3+ system

　　J. Mol. Struct. (THEOCHEM) 2001, 543, 117.

　　11.張冬菊，莊丙游，劉永軍，胡海泉，劉成卜

　　非金屬氧化－還原對(duì)MO2/MO- (M=N, S, Cl)的電子傳遞反應(yīng)動(dòng)力學(xué)

　　高等學(xué)�；瘜W(xué)學(xué)報(bào)，2001, 5, 810.

　　10.張冬菊, 劉成卜.

　　過(guò)渡金屬離子與烷烴反應(yīng)機(jī)理的理論研究―鎳離子與丙烷反應(yīng)中甲烷的還原消除

　　機(jī)理

　　化學(xué)學(xué)報(bào)，2001, 59, 1406.

　　09.Dongju Zhang, Chengbu Liu, Haiquan Hu, Yongjun Liu

　　Density functional studies of the C-F bond activation of CF3

　　radical by bare Co+ .

　　Chin. J. Chem. 2001, 19, 938.

　　08.Yongjun Liu, Dongju Zhang, Haiquan Hu, Chengbu Liu

　　Theoretical study on the electronic spectra and second-order

　　nonlinear optical propetries of N-methy-2-(2u2019-thiophene)-

　　pyrrolo[3,4] C60

　　J. Mol. Struct. (THEOCHEM), 2001, 545, 97.

　　07.胡海泉，劉成卜，劉永軍，張冬菊，畢思瑋

　　草酸根橋聯(lián)雙核銅（II）體系的磁耦合機(jī)理

　　化學(xué)學(xué)報(bào)，2001， 59， 1054.

　　06.Dongju Zhang, Fangzhen Liang, Dacheng Feng, Chengbu Liu

　　Ab initio study of the reorganization barrier for bent

　　triatomic species.

　　Chem. Phys. Lett. 2000, 317, 430.

　　05.Haiquan Hu, Dongju Zhang, Zhida Chen, Chengbu Liu

　　Influence of structural parameters of Cu2O2 core on magnetic

　　coupling in alkoxo-bridged Cu(II) binuclear system

　　Chem. Phys. Letts. 2000, 329, 255.

　　04.張冬菊, 胡海泉，劉永軍，步宇翔，劉成卜

　　Co(H2O)62+/3體系電子傳遞反應(yīng)動(dòng)力學(xué)的理論研究

　　物理化學(xué)學(xué)報(bào), 2000, 16, 857.

　　03.Dongju Zhang, Bingyou Zhuang, Dacheng Feng, Chengbu Liu

　　Theoretical Study of Self-Exchange Electron-Transfer

　　Reactions for the M(H2O)62+/3+ (M=V, Cr, Mn, and Fe) Systems.

　　Int. J. Quantum Chem., 2000, 78, 32.

　　02.Dongju Zhang, Yuxiang Bu, Chengbu Liu

　　Theoretical Study of the Inner- Sphere Energy Barrier of the

　　Transition-Metal Complex M(H2O)62+/3+ in Electron-Transfer

　　Process.

　　Int. J. Quantum Chem., 1999, 75, 119.

　　01.張冬菊，李林蔚，馮大誠(chéng)，步宇翔，劉成卜

　　溶液中M(H2O)62+/3+(M=V,Cr,Mn, Fe,Co)自交換電子傳遞體系內(nèi)層重組能和活

　　化能的理論研究

　　高等學(xué)�；瘜W(xué)學(xué)報(bào)，1999, 20, 945.

主持的科研項(xiàng)目

　　1.國(guó)家自然科學(xué)基金面上項(xiàng)目：硼、氮摻雜碳納米管氣相傳感器氣敏機(jī)制的理論研究

　　2005.01-2007.12.

　　2.山東省自然科學(xué)基金一般項(xiàng)目：生物大分子體系電子傳遞動(dòng)力學(xué)理論研究

　　2003.01-2005.12.

　　3.新型減聚合物減阻機(jī)理的研究, 中國(guó)石油天然氣股份有限公司.

　　2005.07-2007.07

　　4.山東大學(xué)青年自然科學(xué)基金項(xiàng)目：生物大分子體系電子傳遞動(dòng)力學(xué)理論研究

　　2002.01-2003.12.

參加的科研項(xiàng)目

　　1.國(guó)家自然科學(xué)基金重點(diǎn)項(xiàng)目：核酸電荷傳遞超快過(guò)程的微觀機(jī)理研究

　　2002.01- 2005.12.

　　2.國(guó)家自然科學(xué)基金一般項(xiàng)目：電子傳遞反應(yīng)速率問(wèn)題的理論研究

　　1999.01-2001.12.

　　3.國(guó)家自然科學(xué)基金一般項(xiàng)目：雙分子反應(yīng)電子激發(fā)態(tài)勢(shì)能面及非絕熱動(dòng)力學(xué)

　　2001.1-2003.12.

　　4.教育部博士點(diǎn)基金：生物體系電荷傳輸分子動(dòng)力學(xué)模擬研究

　　2004.01-2006.12.

　　5.山東省自然科學(xué)基金重點(diǎn)項(xiàng)目：多金屬橋聯(lián)鐵磁性分子材料的理論設(shè)計(jì)

　　2000.12—2003.12.

　　6.山東省自然科學(xué)基金：電子轉(zhuǎn)移反應(yīng)的機(jī)理和動(dòng)力學(xué)的理論研究

　　1999.01-2001.12.

科研成果

　　2002年山東大學(xué)優(yōu)秀博士論文獎(jiǎng)

　　2003年山東省優(yōu)秀博士論文獎(jiǎng)

　　2007年山東省自然科學(xué)學(xué)術(shù)創(chuàng)新獎(jiǎng)（一等獎(jiǎng)）(1/3)

　　2007年山東高校優(yōu)秀科研成果獎(jiǎng)（三等獎(jiǎng)） (1/2)

　　2007年山東高校優(yōu)秀科研成果獎(jiǎng)（三等獎(jiǎng)） (2/3)