山东大学化学与化工学院物理化学张冬菊

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张冬菊，女，1964年12月出生，山东大学化学与化工学院教授，博导。 2004年8月获香港城市大学物理与材料科学系博士后。
人物经历
1995.09-1998.07　山东大学化学院理论化学研究所硕士研究生，导师：刘成卜教授；
1998.09-2002.07　山东大学化学院理论化学研究所博士研究生，导师：刘成卜教授；
2002.08-2004.08　香港城市大学物理与材料科学系从事博士后研究。
主讲课程
结构化学（本科化学、应化和化学双学位专业）。
量子化学软件与应用（研究生）。
研究方向
1.电子转移反应动力学理论研究；
2.小分子及团簇的结构、性质及化学反应的理论研究；
3.低维材料的微观结构及生长机理的计算机模拟。

主要论著

64. Guixiu Wang,Rongxiu Zhu,DongjuZhang*,Chengbu Liu

Theoretical study of on the dark oxidationreaction mechanism of ethers

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

63. 郭冠伦，朱荣秀，张冬菊*，刘成卜

二元硅氧环与CFn (n=1-3）自由基反应的理论研究

化学学报，2006,20,2046-2050.

62. Dongju Zhang*,Guanlun Guo,ChengbuLiu,Zhang R. Q.

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

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

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

Theoretical explorations on BN-dopedarmchair single-walled carbon nanotubes

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

60. Yuanhua Qi,Daren Guan,Yuansheng Jiang,ChengbuLiu,Dongju Zhang

Theoretical study of the electronictransport property of the hydrogen-Pt contact system

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

59. Ruoxi Wang,Dongju Zhang,BinZheng,Zhongnan Qi,Chengbu Liu

Theoretical study of silicon–oxygen–sulfur ionicoligomers (SiOS)n+ and (SiOS)n- (n = 1–6）

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

58. Guixiu Wang,Rongxiu Zhu,DongjuZhang*,Chengbu Liu

Theoretical study of the dark-oxidationreaction mechanisms for organic polymers

Chem. Phys. Lett. 2006,427,35-40.

57. Rongxiu Zhu,Dongju Zhang,JianWu,Chengbu Liu

Theoretical study of the bifunctional-ureacatalyzed 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 TailoredPores 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 withFully Coordinated Structures

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

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

Boron-Doped Carbon Nanotubes serving as aNovel Chemical Sensor for Formaldehyde

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

53. Dongju Zhang*,Guanlun Guo,Chengbu Liu

A new route for stabilizing siliconfullerenes

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 smallestboron nanotube

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

50. Dongju Zhang*,Rongxiu Zhu,Chengbu Liu

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

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

49. Dongju Zhang*,R. Q. Zhang,ZheHan,Chengbu Liu

A synthetic route towards well-definedstoichiometric silica fullerene and nanotubes based on the metastable four-memberedrings

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

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

Theoretical evidence for the reaction ofN-methyl-2-

pyrrolidinone with carbon disulfide

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

47. Dongju Zhang,R. Q. Zhang

A Structural Model of Silica NanowireAssembled from a

Highly Stable (SiO2）8 unit

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

46. Shiling Yuan,Xiuqing Zhang,GuiyingXu,Dongju Zhang

Mesoscopic simulation study on a weaklycharged block polyelectrolyte in aqueous solution

J. Mol. Model,2006,12,406-410.

45. Youmin Sun,Chengbu Liu,ZhongnanQi,Dongju Zhang

Theoretical study on magneto-structuralcorrelation 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 inorganicfullerene-like

family of silicon-carbon materials

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

43.Dongju Zhang,XuebingFu,RuoxiWang,Chengbu Liu

Theoretical study of the reaction oftitanium ion with

ethane-Structure,mechanism,and potentialenergy surface

Can. J. Chem. 2005,83,485.

42.张冬菊

碳纳米管为基础的气敏器件的计算机辅助设计

《国际学术动态》2005,4,39.

41.Dongju Zhang,R. Q. Zhang

Geometrical structures and electronicproperties of AlN

fullerenes: A comparative theoretical studyof 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-HBonds 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-sulfuroligomers (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 hybridstructures of silica

nanoclusters

J. Phys. Chem. B 2004,108,18451.

36.Dongju Zhang,R. Q. Zhang,

A structural model of one-dimensional thinsilica nanowires

Chem. Phys. Lett. 2004，394，437.

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

Fluorination Induced Etching Selectivity ofBoron 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 hydridespecies on the wurtzite

AlN(0001） surface

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

33.Dongju Zhang,Chengbu Liu,SiweiBi,Shiling Yuan

A Comprehensive Theoretical Study on theReactions 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 reactionsof Co+ with OCS

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

31.Dongju Zhang,Chengbu Liu,Wensheng Bian

Theoretical investigation of the reactionsof Fe+ with OCS

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

30.Dongju Zhang,Ruiqin Zhang

Theoretical Prediction on Aluminum NitrideNanotubes

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

29.Dongju Zhang,Chengbu Liu,Wensheng Bian

Novel Insight into the Mechanism of theReaction of Fe+

with Ethane

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

28.张冬菊，冯大诚

钒离子与乙烷反应的理论研究

化学学报，2003,61,17.

27.Minwen Zhao,Yueyuan Xia,DonjuZhang,Liangmo Mei

Stability and electronic structure of AlNnanotubes

Phys. Rev. B 2003,68,235415.

26.Dongju Zhang,Chengbu Liu,Siwei Bi.

Density Functional Studies of the Reactionsof Lanthanide

monocations with Fluoromethane: C-F BondActivation and

Electron-Transfer Reactivity.

J. Phys. Chem. A 2002,106,4153.

25.Dongju Zhang,Chengbu Liu

Reorganization Criterions and Their Effectson Inner-Sphere

Barriers for Transition Metal Redox PairsM(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,DongWang,Mingliang

Zhang,Guibao Xu,Xian Zhao,YupengTian,Zongshu Shao,

Minghua Jiang

Synthesis,structure and properties of a newtwo-photon

photopolymerization initiator

J. Mater. Chem. 2002,12,3431.

22.Dongju Zhang,Yongjun Liu,HaiquanHu,Chengbu Liu

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

Mn,Fe and Co): Models and Calculations.

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

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

Density Functional Study on the ReactionMechanism for the

Reaction of Ni+ with Ethane.

Chinese J. Chem. 2002,20,220.

20.Dongju Zhang,Chengbu Liu.

Density Functional Studies of the Reactionof Ytterbium

Monocation with Fluoromethane: C-F BondActivation and

Electron-Trnsfer Reactivity.

Chin. Chem. Lett. 2002,4,359.

19.张冬菊，张长桥，刘成卜

过渡金属离子与烷烃反应机理的理论研究―镍离子与丙烷反应中氢分子的还原消除

机理

高等学校化学学报，2002,23,876.

18.张冬菊、宋其圣、刘成卜

吩噻嗪与四甲基哌啶氧铵正离子的电子转移反应动力学研究

结构化学，2002,21,325.

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

ZINDO-SOS Studies on Second-order NonlinearOptical

Properties of Thiophene S,S-DioxideChromophores.

Chem. Res. Chinese U. 2002,18,42.

16.Dongju Zhang,Changqiao Zhang,ChengbuLiu.

Density Functional Studies of theReactivity in the C-F Bond

Activation of Fluoromethane by BareLanthanum Monocation.

J. Organomet. Chem. 2001,640,121.

15.Qingzhu Zhang,Dongju Zhang,ShaokunWang,Yueshu Gu

Ab initio and kinetic calculations for thereactions 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 SinglyBridged Binuclear

Systems

Chem. Phys. Lett. 2001,340,370.

13.Haiquan Hu,Yonjun Liu,DongjuZhang,Chengbu Liu

Effect of structural and chemicalparameters on magnetic

coupling in hydroxo-bridged Cu（Ⅱ） dimmer

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

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

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

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

11.张冬菊，庄丙游，刘永军，胡海泉，刘成卜

非金属氧化－还原对MO2/MO- (M=N,S,Cl）的电子传递反应动力学

高等学校化学学报，2001,5,810.

10.张冬菊，刘成卜.

过渡金属离子与烷烃反应机理的理论研究―镍离子与丙烷反应中甲烷的还原消除

机理

化学学报，2001,59,1406.

09.Dongju Zhang,Chengbu Liu,HaiquanHu,Yongjun Liu

Density functional studies of the C-F bondactivation of CF3

radical by bare Co+ .

Chin. J. Chem. 2001,19,938.

08.Yongjun Liu,Dongju Zhang,HaiquanHu,Chengbu Liu

Theoretical study on the electronic spectraand second-order

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

pyrrolo[3,4] C60

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

07.胡海泉，刘成卜，刘永军，张冬菊，毕思玮

草酸根桥联双核铜（Ⅱ）体系的磁耦合机理

化学学报，2001， 59， 1054.

06.Dongju Zhang,Fangzhen Liang,DachengFeng,Chengbu Liu

Ab initio study of the reorganizationbarrier for bent

triatomic species.

Chem. Phys. Lett. 2000,317,430.

05.Haiquan Hu,Dongju Zhang,ZhidaChen,Chengbu Liu

Influence of structural parameters of Cu2O2core on magnetic

coupling in alkoxo-bridged Cu（Ⅱ） binuclearsystem

Chem. Phys. Letts. 2000,329,255.

04.张冬菊，胡海泉，刘永军，步宇翔，刘成卜

Co(H2O)62+/3体系电子传递反应动力学的理论研究

物理化学学报，2000,16,857.

03.Dongju Zhang,Bingyou Zhuang,DachengFeng,Chengbu Liu

Theoretical Study of Self-ExchangeElectron-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- SphereEnergy Barrier of the

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

Process.

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

01.张冬菊，李林蔚，冯大诚，步宇翔，刘成卜

溶液中M(H2O)62+/3+(M=V,Cr,Mn,Fe,Co）自交换电子传递体系内层重组能和活

化能的理论研究

高等学校化学学报，1999,20,945.

科研项目

主持的科研项目

1.国家自然科学基金面上项目：硼、氮掺杂碳纳米管气相传感器气敏机制的理论研究

2005.01-2007.12.

2.山东省自然科学基金一般项目：生物大分子体系电子传递动力学理论研究

2003.01-2005.12.

3.新型减聚合物减阻机理的研究，中国石油天然气股份有限公司.

2005.07-2007.07

4.山东大学青年自然科学基金项目：生物大分子体系电子传递动力学理论研究

2002.01-2003.12.

参加的科研项目

1.国家自然科学基金重点项目：核酸电荷传递超快过程的微观机理研究

2002.01- 2005.12.

2.国家自然科学基金一般项目：电子传递反应速率问题的理论研究

1999.01-2001.12.

3.国家自然科学基金一般项目：双分子反应电子激发态势能面及非绝热动力学

2001.1-2003.12.

4.教育部博士点基金：生物体系电荷传输分子动力学模拟研究

2004.01-2006.12.

5.山东省自然科学基金重点项目：多金属桥联铁磁性分子材料的理论设计

2000.12—2003.12.

6.山东省自然科学基金：电子转移反应的机理和动力学的理论研究

1999.01-2001.12.