![張冬菊[山東大學化學與化工學院教授，博導]](/img/7/3ec/nBnauM3XzQjNzcDO2UDO2kTO0UTMyITNykTO0EDMwAjMwUzL1gzLyYzLt92YucmbvRWdo5Cd0FmLzE2LvoDc0RHa.jpg "張冬菊[山東大學化學與化工學院教授，博導]")
人物經歷
1995.09-1998.07 山東大學化學院理論化學研究所碩士研究生，
導師：劉成卜教授；
1998.09-2002.07 山東大學化學院理論化學研究所博士研究生，
導師：劉成卜教授；
2002.08-2004.08 香港城市大學物理與材料科學系從事博士後研究。
主講課程
結構化學（本科化學、應化和化學雙學位專業）。
量子化學軟體與套用（研究生）。
研究方向
1.電子轉移反應動力學理論研究；
2.小分子及團簇的結構、性質及化學反應的理論研究；
3.低維材料的微觀結構及生長機理的計算機模擬。
主要貢獻
主要論著
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
二元矽氧環與CFn (n=1-3）自由基反應的理論研究
化學學報，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 silicon–oxygen–sulfur ionic oligomers (SiOS)n+ and (SiOS)n- (n = 1–6）
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
碳納米管為基礎的氣敏器件的計算機輔助設計
《國際學術動態》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
釩離子與乙烷反應的理論研究
化學學報，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，張長橋，劉成卜
過渡金屬離子與烷烴反應機理的理論研究―鎳離子與丙烷反應中氫分子的還原消除
機理
高等學校化學學報，2002,23,876.
18.張冬菊、宋其聖、劉成卜
吩噻嗪與四甲基哌啶氧銨正離子的電子轉移反應動力學研究
結構化學，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MO2/MO- (M=N,S,Cl）的電子傳遞反應動力學
高等學校化學學報，2001,5,810.
10.張冬菊，劉成卜.
過渡金屬離子與烷烴反應機理的理論研究―鎳離子與丙烷反應中甲烷的還原消除
機理
化學學報，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-（2’-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
草酸根橋聯雙核銅（Ⅱ）體系的磁耦合機理
化學學報，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體系電子傳遞反應動力學的理論研究
物理化學學報，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，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層重組能和活
化能的理論研究
高等學校化學學報，1999,20,945.
科研項目
主持的科研項目
1.國家自然科學基金面上項目：硼、氮摻雜碳納米管氣相感測器氣敏機制的理論研究
2005.01-2007.12.
2.山東省自然科學基金一般項目：生物大分子體系電子傳遞動力學理論研究
2003.01-2005.12.
3.新型減聚合物減阻機理的研究，中國石油天然氣股份有限公司.
2005.07-2007.07
4.山東大學青年自然科學基金項目：生物大分子體系電子傳遞動力學理論研究
2002.01-2003.12.
參加的科研項目
1.國家自然科學基金重點項目：核酸電荷傳遞超快過程的微觀機理研究
2002.01- 2005.12.
2.國家自然科學基金一般項目：電子傳遞反應速率問題的理論研究
1999.01-2001.12.
3.國家自然科學基金一般項目：雙分子反應電子激發態勢能面及非絕熱動力學
2001.1-2003.12.
4.教育部博士點基金：生物體系電荷傳輸分子動力學模擬研究
2004.01-2006.12.
5.山東省自然科學基金重點項目：多金屬橋聯鐵磁性分子材料的理論設計
2000.12—2003.12.
6.山東省自然科學基金：電子轉移反應的機理和動力學的理論研究
1999.01-2001.12.
獲獎記錄
2002年山東大學優秀博士論文獎
2003年山東省優秀博士論文獎
2007年山東省自然科學學術創新獎（一等獎）（1/3）
2007年山東高校優秀科研成果獎（三等獎）（1/2）
2007年山東高校優秀科研成果獎（三等獎）（2/3）
