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南京理工大学化工学院导师介绍:朱卫华

 


姓名: 朱卫华 性 别:男 出生年月: 2008-1-1  
职称: 教授 办公电话: 84315947-805 导师类别: 博士生导师  
电子邮件: zhuwh@njust.edu.cn  
工作单位: 化工学院  
最后学历: 研究生毕业 最后学位: 博士  
最后毕业学校: 南京大学 毕业专业: 070304 物理化学 毕业时间:
主学科研究方向:
二级学科名称(主): 应用化学 博士学科 学科代码: 081704
1. 功能材料理论设计
2. 高能材料结构与性能
3. 分子动力学模拟
辅学科研究方向:
二级学科名称(辅): 物理化学 硕士学科 学科代码: 070304
1. 高能量密度材料的分子设计
2. 功能材料结构与性能的理论研究
学术任职:
国家
自然科学基金通讯评议专家,博士点基金通讯评议专家,省自然科学基金通讯评议专家。中国化学会会员。 J. Phys. Chem.;J. Comput. Chem.;Phys. Chem. Chem.
Phys.;ChemPhysChem;Comput. Mater. Sci.;J. Chem. Engineer Data;J. Chem.
Sci.;Indust. Engineer. Chem. Res.;J. Energ. Mater.;Mol. Simul.;J. Phys.
Org. Chem.;Phys. Status Solidi B;Comptes Rendus Chimie;Chin. J.
Chem.;《化学学报》;《化学物理学报》;《物理学报》;《含能材料》;《分子科学学报》等期刊的审稿人。
学术成就:
一、 学术专著
1. 朱卫华, 肖鹤鸣. 《高能晶体量子化学》. 北京: 科学出版社, 2012.

二、学术论文 
在Chem. Mater.;J. Phys. Chem. A,B,C;Phys. Rev. B;J. Chem. Phys.;J.
Comput. Chem.和Phys. Chem. Chem. Phys.等国际期刊上发表SCI学术论文70多篇。近期代表性论文:
1.  Yuling Shao, Weihua Zhu,* Heming Xiao, “Structure-property
relationships of energetic nitrogen-rich salts composed of
tiaminoguanidinium or ammonium cation and tetrazole-based anions”, J.
Mol. Graph. Model., 2013, 40, 54-63.
2.  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.
3.  Yong Pan, Weihua Zhu,* Jinshan Li, Bibo Cheng, Heming Xiao,
“Computational studies on the heats of formation, energetic properties,
and thermal stability of energetic nitrogen-rich
furazano[3,4-b]pyrazine-based derivatives”, Comput. Theor. Chem., 2012,
992, 110-119.
4.  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.
5.  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.
6.  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.
7.  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.
8.  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.
9.  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.
10.  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.
11.  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.
12.  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.
13.  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.
14.  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.
15.  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.
16.  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.
17.  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.
18. 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.
目前从事的研究内容、承担和科研项目及经费:
一、国家级项目
1. 国家自然科学基金 高能晶体分解起爆机理的从头算分子动力学模拟(21273115) 负责人
2. 国防“973”子专题  XXX主要化学反应研究                                  负责人               
3. 国家自然科学基金  新型高氮含能化合物的理论设计和合成研究(10876013)    负责人
4. 国防“973”子专题  XXX安全性研究                                        第二负责人
二、省部级项目
1. 国家重点实验室开发基金                                     负责人
2. 高等学校博士学科点专项科研基金                             负责人
3. 总装备部预先研究基金                                       负责人
4. 总装青年创新基金                                           负责人
5. 教育部留学回国人员科研基金                                 负责人
其它情况:
曾先后在清华大学化学系、新加坡Institute of High Performance Computing (IHPC)从事博士后研究工作

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