朱卫华教授
博士生导师




目前就职： 化工学院
导师类型/类别： 校内博士生导师
个人主页： http://teacher.njust.edu.cn/hgxy/zwh/list.htm








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联系电话： **
电子邮箱： zhuwh@njust.edu.cn
邮编： 210094
工作单位： 化工学院
通讯地址： 南京市孝陵卫街200号南京理工大学化工学院




个人信息
指导学科
社会、学会及学术
出版专著和教材
科研创新
教学活动
发表论文
指导学生情况
其他信息
获奖、荣誉称号



教育经历

工作经历


指导学科
学科专业(主)081704|应用化学 招生类别 博、硕士 所在学院 化工学院
研究方向 1. 化学合成反应的计算和模拟2. 功能材料分解反应机理的理论研究3. 分子模拟
学科专业(辅)070304|物理化学 招生类别 硕士 所在学院 化工学院
研究方向 1. 高能量密度化合物的分子设计2. 功能材料结构与性能的理论研究
学科专业(辅)080502|材料学 招生类别 博、硕士 所在学院 化工学院
研究方向 1. 高能量密度材料的理论设计2. 极端条件下功能材料的结构与性能3. 纳米功能材料的理论设计另外，本课题组还可以招收”材料物理与化学“专业的硕士生和博士生，欢迎报考！


社会、学会及学术兼职
美国化学会会员，中国化学会会员。


出版专著和教材
1. 朱卫华，王桂香，贡雪东，肖鹤鸣. 高能化合物的分子设计. 北京：科学出版社，2014。
2. 朱卫华，肖鹤鸣. 高能晶体量子化学. 北京：科学出版社，2012。
3. 肖继军，朱卫华，朱伟，肖鹤鸣. 高能材料分子动力学. 北京：科学出版社，2013



科研创新

科研项目


教学活动


发表论文
在Chem. Mater.、J. Mater. Chem. A、Phys. Rev. B、J. Chem. Phys.、J. Phys. Chem. A,B,C、J. Comput. Chem.、Phys. Chem. Chem. Phys.、J. Hazard. Mater.等国际期刊上发表SCI学术论文120多篇。近期代表性论文：
1. Qiong Wu, Hao Chen, Guolin Xiong, Weihua Zhu,* Heming Xiao, Decomposition of 1,3,5-triamino-2,4,6-trinitrobenzene at decomposition coupled with different pressures: an ab initio molecular dynamics study,J. Phys. Chem. C, 2015, 119, 16500-16506.
2. Qiong Wu, Guolin Xiong, Weihua Zhu,* Heming Xiao, How does low temperature coupled with different pressures affect initiation mechanisms and subsequent decomposition in nitramine explosive HMX?,Phys.Chem. Chem. Phys., 2015, 17, 22823-22831.
3. Zhichao Liu, Qiong Wu, Weihua Zhu,* Heming Xiao, Vacancy-induced initialdecomposition of condensed phase NTOvia bimolecular hydrogen transfer mechanisms at high pressure: A DFT-D study, 2015,Phys. Chem. Chem. Phys., 2015, 17, 10568-10578.
4. Qiong Wu, Weihua Zhu,* Heming Xiao, “A new design strategy on high-energy insensitive explosives: combining oxygen balance equal to zero, a combination of nitro and amino groups, and N-oxide in one molecule of 1-amino-5-nitro-tetrazole-3N-oxide”,J. Mater. Chem. A, 2014, 2(32), 13006-13015.
5. Qiong Wu, Weihua Zhu,* Heming Xiao, “Ab initio molecular dynamics study of thermal decomposition of 3,6-di(azido)-1,2,4,5-tetrazine”,Phys. Chem. Chem. Phys., 2014, 16(39), 21620-21628.
6.Qiong Wu, Weihua Zhu,* Heming Xiao,“Structural transformations and absorption properties of crystalline 7-amino-6-nitrobenzodifuroxan under high pressures”,J. Phys. Chem. C, 2013, 117, 16830-16839.
7. Weihua Zhu,* Qingli Yan, Jinshan Li, Bibo Cheng, Yuling Shao, Xuelan Xia, Heming Xiao, “Prediction of the properties and thermodynamics of formation for energetic nitrogen-rich salts composed of triaminoguanidinium cation and 5-nitroiminotetrazolate-based anions”,J. Comput. Chem., 2012, 33, 1781-1789.
8. Weihua Zhu,* Hui Huang, Hengjian Huang, Heming Xiao, “Initial chemical events in shocked octahydro-1,3,5,7-tetranitro- 1,3,5,7-tetrazocine: A new initiation decomposition mechanism”J. Chem. Phys., 2012, 136, 044516.
9. Weihua Zhu,* Heming Xiao, “Ab initio molecular dynamics study of temperature effects on the structure and stabilities of energetic solid silver azide”,J. Phys. Chem. C, 2011, 115, 20782-20787.
10. Weihua Zhu,* Chenchen Zhang, Tao Wei, Heming Xiao, “Computational study of energetic nitrogen-rich derivatives of 1,1′- and 5,5′-bridged ditetrazoles”,J. Comput. Chem., 2011, 32, 2298-2312.
11. Weihua Zhu,* Rongshan Wang, Guogang Shu, Ping Wu, Heming Xiao, “First-Principles Study of Different Polymorphs of Crystalline Zirconium Hydride”,J. Phys. Chem. C, 2010, 114, 22361-22368.
12. Xiaowen Zhang, Weihua Zhu,* Tao Wei, Chenchen Zhang, Heming Xiao, “Densities, Heats of Formation, Energetic Properties, and Thermodynamics of Formation of Energetic Nitrogen-Rich Salts Containing Substituted Protonated and Methylated Tetrazole Cations: A Computational Study”,J. Phys. Chem. C, 2010, 114, 13142-13152.
13. Xiaowen Zhang, Weihua Zhu,* Heming Xiao, “Comparative theoretical studies of energetic substituted carbon- and nitrogen-bridged difurazans”,J. Phys. Chem. A, 2010, 114, 603-612.
14. Tao Wei, Weihua Zhu,* Jingjing Zhang, Heming Xiao, “DFT study on energetic tetrazolo-[1,5-b]- 1,2,4,5-tetrazine and 1,2,4-triazolo-[4,3-b]-1,2,4,5-tetrazine derivatives”,J. Hazard. Mater., 2010, 179, 581-590.
15. Tao Wei, Weihua Zhu,* Xiaowen Zhang, Yu-Fang Li, Heming Xiao, “Molecular design of 1,2,4,5-tetrazine-based high-energy density materials”,J. Phys. Chem. A, 2009, 113, 9404-9412.
16. Weihua Zhu,* Heming Xiao, “First-principles study of electronic, absorption, and thermodynamic properties of crystalline styphnic acid and its metal salts”,J. Phys. Chem. B, 2009, 113, 10315-10321.
17. Weihua Zhu,* Heming Xiao, “Ab initio study of electronic structure and optical properties of heavy-metal azides: TlN3, AgN3, and CuN3”,J. Comput. Chem., 2008, 29, 176-184.
18. Weihua Zhu,* Tao Wei, Wei Zhu, Heming Xiao, “Comparative DFT study of solid ammonium perchlorate and ammonium dinitramide”,J. Phys. Chem. A, 2008, 112, 4688-4693.
19. Weihua Zhu,* Xiaowen Zhang, Wei Zhu, Heming Xiao, “Density functional theory studies of hydrostatic compression of crystalline ammonium perchlorate”,Phys. Chem. Chem. Phys., 2008, 10, 7318-7323.
20. Weihua Zhu,* Jijuan Xiao, Guangfu Ji, Feng Zhao, Heming Xiao, “First-principles study of the four polymorphs of crystalline octahydro-1,3,5,7-tetranitro- 1,3,5,7-tetrazocine” ,J. Phys. Chem. B, 2007, 111, 12715-12722.
21. Weihua Zhu,* Heming Xiao, “Ab initio study of energetic solids: cupric azide, mercuric azide, and lead azide”,J. Phys. Chem. B, 2006, 110, 18196-18203.
22. Weihua Zhu,* Jijun Xiao, Heming Xiao, “Comparative first-principles study of structural and optical properties of alkali metal azides”,J. Phys. Chem. B, 2006, 110, 9856-9862.



指导学生情况
已有3名硕士生和2名博士生获得“研究生国家奖学金”。


其他信息


获奖、荣誉称号







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