孙昊
东北师范大学化学学院
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职　　称：副教授
研究方向：计算机模拟有害气体分子的大气化学行为、吸附、检测和转化
办公电话：
办公地点：
电子邮件：sunh600@nenu.edu.cn



个人简历
孙昊，女，博士，副教授，硕士研究生指导教师。主要研究方向为：计算机模拟新型材料对有害气体分子的吸附、检测和转化过程。近年来在Nano Energy, Chem-Eur J.,J. Phys. Chem. A/B , Chemosphere, J. Mater. Chem. A, Phys. Chem. Chem. Phys.等期刊发表论文50余篇。主持国家自然科学基金青年基金、国家自然科学基金应急管理项目、吉林省教育厅、吉林省科技厅等多项科研项目。教育经历：2001 年9 月-2006 年7 月，东北师范大学化学学院物理化学专业，获理学博士学位。1997 年9 月-2001 年7 月，东北师范大学化学学院化学教育专业，获理学学士学位。工作经历：2010年3月-2011年3月，澳大利亚昆士兰大学，访问学者。2008年7月-2012年9月，吉林大学，唐敖庆研究所，博士后。2003年1月—现在, 东北师范大学化学学院功能材料化学研究所, 讲师、硕士研究生指导教师、副教授。----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------化学不再是纯实验科学啦！——诺贝尔奖得主波普尔(Chemistry is no longer a purely experimental science—— Nobel Prize winner：John Pople)如果你想打开化学学科的另一扇门，欢迎加入我们的科研团队，我们一起从化学模拟的角度探寻化学中的奥秘与乐趣。部分代表性论文:28. Junmei Ma, Hongwei Gong, Tong Zhang, Hong Yu, Rong Zhang, Zhenhua Liu, Guoxin Yang, Hao Sun*, Shuwei Tang*, Yongqing Qiu*, Hydrogenation of CO2 to formic acid on the single atom catalysis Cu/C2N: A first principles study, Applied Surface Science, in press. 27. Zhao Wang#, Ming Feng#, Hao Sun#, Gaoran Li, Qiang Fu, Haibo Li, Jia Liu, Liqun Sun, Alain Mauger, Christian M. Julien, Haiming Xie*, Zhongwei Chen*, Constructing metal-free and cost-effective multifunctional separator for high-performance lithium-sulfur batteries, Nano Energy, 2019, 59, 390-398. (#: equal contribution) 26. Yang Yang, Xiaoying Hou, Tong Zhang, Junmei Ma, Wanqiao Zhang, Shuwei Tang*, Hao Sun*, Jingping Zhang, Mechanistic Insights into the Nickel-Catalyzed Cross-Coupling Reaction of Benzaldehyde with Benzyl Alcohol via C?H Activation: A Theoretical Investigation, Journal of Organic Chem. 2018, 83, 11905-11916. 25. Zhao Wang, Jia Liu, Liqun Sun, Yuhang Zhang, Qiang Fu, Haiming Xie*, Hao Sun*, Porous Molybdenum Carbide Nanorode as Novel “Bi-functional”Cathode Material for Li-S Batteries, Chemistry-A European Journal, 2018, 24, 14154-14161.24. Tong Zhang, Hao Sun*, Fengdi Wang, Wanqiao Zhang, Shuwei Tang*, Junmei Ma, Hongwei Gong*, Jingping Zhang, Electric-filed controlled capture and release of phosgene molecule on graphene-based materials: First principles calculations, Applied Surface Science, 2018, 427: 1019-1026.23. Tong Zhang, Hao Sun*, Fengdi Wang, Wanqiao Zhang, Shuwei Tang, Junmei Ma, Hongwei Gong*, Jingping Zhang*, Adsorption of phosgene molecule on the transition metal-doped graphene: First principles calculations, Applied Surface Science, 2017, 425: 340-350.22. Fengdi Wang, Tong Zhang, Xiaoying Hou, Wanqiao Zhang, Shuwei Tang*, Hao Sun*, Jingping Zhang, Li-decorated porous graphene as a high-performance hydrogen strorage material: A first-principles study, International Journal of Hydrogen Energy, 2017, 42: 10099-10108.21. Tong Zhang, Hao Sun*, Fengdi Wang, Wanqiao Zhang, Shuwei Tang*, Junmei Ma, Hongwei Gong*, Jingping Zhang, Reversible adsorption/desorption of the formaldehyde molecule on transition metal doped graphene by controlling the external electric-filed: First-principles study, Theoretical Chemistry Accounts, 2017, 136:134. 20. Jing Liang, Yuhan Li, Xiaoying Hou, Fengdi Wang, Wanqiao Zhang, Jingping Zhang, Shuwei Tang*, Hao Sun*, Insights into electrochrinciple study, Electrochimica Acta, 2017, 251: 316-323.19. Xiaoying Hou, Jing Liang, Tong Zhang, Yuhan Li, Shuwei Tang*, Hao Sun*, Jingping Zhang, Haiming Xie, Insights into electrochemistry and mechanical stability of α- and β-Li2MnP2O7 for lithium-ion cathode materials: First-principles comparison, Journal of Physical Chemistry C, 2017, 121: 22656-22664.18. Wanqiao Zhang, Hao Sun*, Wei Chen, Yunju Zhang, Fengdi Wang, Shuwei Tang,Jingping Zhang, Haitao Wang*, Rongshun Wang, Mechanistic and kinetic study on the reaction of ozone and trans-2-chlorovinyldichloroarsine，CHEMOSPHERE，2016, 150, 329-340.17. Haijie Shi, Fengdi Wang, Wei Chen, Shuwei Tang, Wanqiao Zhang, Wenliang Li, Hao Sun*, Jingping Zhang*, Rongshun Wang*, Theoretical design and simulation of supramolecular polymer unit based on multiple hydrogen bonds, J Mol Graph Model, 2015, 59, 31-39. 16. Wanqiao Zhang, Xiaodi Guo, Yunju Zhang, Fang Wang, Haijie Shi, Jingping Zhan, Zhongmin Su, Rongshun Wang, Shuwei Tang, Haitao Wang，Hao Sun*，The mechanistic study of the hydroxyl radical reaction with trans-2- chlorovinyldichloroarsine, J Mol Model, 2014, 20, 2335-0-2335-9. 15.Fengdi Wang, Fang Wang, Nannan Zhang, Yuhan Li, Shuwei Tang*, Hao Sun*, Yingfei Chang, Rongshun Wang, High-capacity hydrogen storage of Na-decorated graphene with boron substitution: First-principles calculations, Chem Phys Lett, 2013, 555, 212-216. 14. Yunju Zhang, Jingyu Sun, Kai Chao, Fang Wang, Shuwei Tang, Xiumei Pan, Jingping Zhang, Hao Sun*, Rongshun Wang,Theoretical study on the mechanism for the reaction of F with CH2CHCH2Cl, Comput Theor Chem, 2012, 981(12), 7-13. 13. Hao Sun, Hui Hui Lee, Idriss Blakey, Bronwin Dargaville, Traian V. Chirila, Andrew K. Whittaker, Sean C. Smith, Multiple Hydrogen-Bonded Complexes Based on 2-Ureido-4[1H]- pyrimidinone: A Theoretical Study, J. Phys. Chem. B, 2011, 115(38): 11053-11062.12. Fang Wang, Hao Sun*, Jingyu Sun, Xiujuan Jia, Yunju Zhang, Yizhen Tang, Xiumei Pan, Zhongmin Su, Lizhu Hao, Rongshun Wang*, Mechanistic and kinetic study of CH2O + O3 reaction, J. Phys. Chem. A, 2010, 114(10): 3516-3522. 11. Hao Sun, Hongwei Gong, Huiling Liu, Fang Wang, Xiumei Pan, Zhongmin Su, Chiachung Sun, Rongshun Wang, Xuri Huang, Theoretical study on the structures, isomerization and stability of SiC4 isomers, Theor. Chem. Acc., 2010, 126(1-2): 15-25.10. Hao Sun, Hongwei Gong, Xiumei Pan, Lizhu Hao, ChiaChung Sun, Rongshun Wang, Xuri Huang, Theoretical investigation of the reaction of CF3CHFOCH3 with OH radical, J. Phys. Chem. A, 2009, 113(20): 5951-5957. 9. Hao Sun, Xuri Huang, Xiumei Pan, Rongshun Wang, Chiachuang Sun, Direct dynamic study on the hydrogen abstraction reaction of H2CO with NCO, Int. J. Chem. Kinet., 2009, 41(6): 394-400. 8. Hao Sun, Hongqing He, Jingyao Liu, Zesheng Li, Xiumei Pan, Rongshun Wang, Direct ab initio dynamics study on the reaction of CH3CHF2 (HFC-152a) with Cl atom, ChemPhysChem, 2008, 9(2): 847-853. 7. Hao Sun, Nannan Tan, Hongqing He, Xiumei Pan, Zhongmin Su, Rongshun Wang, Theoretical study on the structures, isomerization and stability of SiC3H isomers, Theor. Chem. Acc., 2008, 119(4): 501-509. 6. Hao Sun, Hongqing He, Yaru Pan, Xiumei Pan, Zesheng Li, Rongshun Wang, Theoretical study on the hydrogen abstraction reaction of CH3CH2F (HFC-161) with Cl atom, Chem. Phys. Lett., 2008, 450(4-6): 186-191. 5. Hao Sun, Hongqing He, Hongwei Gong, Xiumei Pan, Zesheng Li, Rongshun Wang, Theoretical investigation into the hydrogen abstraction reaction of CH3CH2F (HFC-161) with OH, Chem. Phys., 2006, 327(1): 91-97.4. LiLi Zhou, Hao Sun, Xiaohong Zhang, Shikang Wu, An effective fluorescent chemosensor for the detection of copper(II), Spectrochimica Acta Part A, 2004, 61, 61–65.3. Hao Sun, Yizhen Tang, Zhanliang Wang, Xiumei Pan, Zesheng Li, Rongshun Wang, DFT Investigation of the Mechanism of CH2CO + O(3P) Reaction, Int J Quantum Chem, 2005, 105, 527–532.2. Hao Sun, Yizhen Tang, Zhanliang Wang, Xiumei Pan, Zesheng Li, Rongshun Wang*,DFT study on the mechanisms of the CH2CO + NCX (X=O,S) reactions, J Mol Struct: THEOCHEM, 2005, 757, 143–1481. Hao Sun, Xiumei Pan, Min Zhao, Pengjun Liu, Zhongmin Su, Rongshun Wang*, Density Functional Study on the Mechanism of Collision Reaction among Protons, N2 and Water Vapor，Chinese J Chem, 2004, 22, 594-598.

社会兼职




获奖情况 （数据来源：科学技术处、社会科学处）




教学信息


先后承担本科生必修课、选修课及实验课的主讲，包括《结构化学》、《化学计算模拟》、《量子化学基本原理与计算方法》、《中学化学教学实验研究》、《材料化学》等课程。


科研信息


主持过的科研项目：1. 化学毒剂大气化学行为的理论研究及碳纳米材料作为其清除剂的可行性探讨，国家自然科学基金委，2017年，主持，在研；2. 销毁路易斯毒剂大气环境风险的理论评估，吉林省教育厅，2015年，主持，在研；3. 销毁路易斯毒剂大气环境风险的理论评估，吉林省科技厅，2014年，主持，在研；4. 多氢键型超分子聚合物的理论设计与模拟，国家自然科学基金委，2012年，主持，已结题；5. 小分子化学反应动力学，横向课题，2012年，主持，已完成；6. 星际中硅碳分子异构体的结构和稳定性的理论研究，校内自然科学青年基金，2008年，主持，已结题；7. CH2CO与活性自由基反应机理的理论研究，校内自然科学青年基金，2006年，主持，已结题。专著：1. 结构化学（第2版），高等教育出版社，2016年,参与编写。部分代表性论文:28. Junmei Ma, Hongwei Gong, Tong Zhang, Hong Yu, Rong Zhang, Zhenhua Liu, Guoxin Yang, Hao Sun*, Shuwei Tang*, Yongqing Qiu*, Hydrogenation of CO2 to formic acid on the single atom catalysis Cu/C2N: A first principles study, Applied Surface Science, in press. 27. Zhao Wang#, Ming Feng#, Hao Sun#, Gaoran Li, Qiang Fu, Haibo Li, Jia Liu, Liqun Sun, Alain Mauger, Christian M. Julien, Haiming Xie*, Zhongwei Chen*, Constructing metal-free and cost-effective multifunctional separator for high-performance lithium-sulfur batteries, Nano Energy, 2019, 59, 390-398. (#: equal contribution) 26. Yang Yang, Xiaoying Hou, Tong Zhang, Junmei Ma, Wanqiao Zhang, Shuwei Tang*, Hao Sun*, Jingping Zhang, Mechanistic Insights into the Nickel-Catalyzed Cross-Coupling Reaction of Benzaldehyde with Benzyl Alcohol via C?H Activation: A Theoretical Investigation, Journal of Organic Chem. 2018, 83, 11905-11916. 25. Zhao Wang, Jia Liu, Liqun Sun, Yuhang Zhang, Qiang Fu, Haiming Xie*, Hao Sun*, Porous Molybdenum Carbide Nanorode as Novel “Bi-functional”Cathode Material for Li-S Batteries, Chemistry-A European Journal, 2018, 24, 14154-14161.24. Tong Zhang, Hao Sun*, Fengdi Wang, Wanqiao Zhang, Shuwei Tang*, Junmei Ma, Hongwei Gong*, Jingping Zhang, Electric-filed controlled capture and release of phosgene molecule on graphene-based materials: First principles calculations, Applied Surface Science, 2018, 427: 1019-1026.23. Tong Zhang, Hao Sun*, Fengdi Wang, Wanqiao Zhang, Shuwei Tang, Junmei Ma, Hongwei Gong*, Jingping Zhang*, Adsorption of phosgene molecule on the transition metal-doped graphene: First principles calculations, Applied Surface Science, 2017, 425: 340-350.22. Fengdi Wang, Tong Zhang, Xiaoying Hou, Wanqiao Zhang, Shuwei Tang*, Hao Sun*, Jingping Zhang, Li-decorated porous graphene as a high-performance hydrogen strorage material: A first-principles study, International Journal of Hydrogen Energy, 2017, 42: 10099-10108.21. Tong Zhang, Hao Sun*, Fengdi Wang, Wanqiao Zhang, Shuwei Tang*, Junmei Ma, Hongwei Gong*, Jingping Zhang, Reversible adsorption/desorption of the formaldehyde molecule on transition metal doped graphene by controlling the external electric-filed: First-principles study, Theoretical Chemistry Accounts, 2017, 136:134. 20. Jing Liang, Yuhan Li, Xiaoying Hou, Fengdi Wang, Wanqiao Zhang, Jingping Zhang, Shuwei Tang*, Hao Sun*, Insights into electrochemistry and elastic properties in AFe1-xMxSO4F (A=Li, Na; M=Co, Ni, Mg) cathode materials: A first principle study, Electrochimica Acta, 2017, 251: 316-323.19. Xiaoying Hou, Jing Liang, Tong Zhang, Yuhan Li, Shuwei Tang*, Hao Sun*, Jingping Zhang, Haiming Xie, Insights into electrochemistry and mechanical stability of α- and β-Li2MnP2O7 for lithium-ion cathode materials: First-principles comparison, Journal of Physical Chemistry C, 2017, 121: 22656-22664.18. Wanqiao Zhang, Hao Sun*, Wei Chen, Yunju Zhang, Fengdi Wang, Shuwei Tang,Jingping Zhang, Haitao Wang*, Rongshun Wang, Mechanistic and kinetic study on the reaction of ozone and trans-2-chlorovinyldichloroarsine，CHEMOSPHERE，2016, 150, 329-340.17. Haijie Shi, Fengdi Wang, Wei Chen, Shuwei Tang, Wanqiao Zhang, Wenliang Li, Hao Sun*, Jingping Zhang*, Rongshun Wang*, Theoretical design and simulation of supramolecular polymer unit based on multiple hydrogen bonds, J Mol Graph Model, 2015, 59, 31-39. 16. Wanqiao Zhang, Xiaodi Guo, Yunju Zhang, Fang Wang, Haijie Shi, Jingping Zhan, Zhongmin Su, Rongshun Wang, Shuwei Tang, Haitao Wang，Hao Sun*，The mechanistic study of the hydroxyl radical reaction with trans-2- chlorovinyldichloroarsine, J Mol Model, 2014, 20, 2335-0-2335-9. 15.Fengdi Wang, Fang Wang, Nannan Zhang, Yuhan Li, Shuwei Tang*, Hao Sun*, Yingfei Chang, Rongshun Wang, High-capacity hydrogen storage of Na-decorated graphene with boron substitution: First-principles calculations, Chem Phys Lett, 2013, 555, 212-216. 14. Yunju Zhang, Jingyu Sun, Kai Chao, Fang Wang, Shuwei Tang, Xiumei Pan, Jingping Zhang, Hao Sun*, Rongshun Wang,Theoretical study on the mechanism for the reaction of F with CH2CHCH2Cl, Comput Theor Chem, 2012, 981(12), 7-13. 13. Hao Sun, Hui Hui Lee, Idriss Blakey, Bronwin Dargaville, Traian V. Chirila, Andrew K. Whittaker, Sean C. Smith, Multiple Hydrogen-Bonded Complexes Based on 2-Ureido-4[1H]- pyrimidinone: A Theoretical Study, J. Phys. Chem. B, 2011, 115(38): 11053-11062.12. Fang Wang, Hao Sun*, Jingyu Sun, Xiujuan Jia, Yunju Zhang, Yizhen Tang, Xiumei Pan, Zhongmin Su, Lizhu Hao, Rongshun Wang*, Mechanistic and kinetic study of CH2O + O3 reaction, J. Phys. Chem. A, 2010, 114(10): 3516-3522. 11. Hao Sun, Hongwei Gong, Huiling Liu, Fang Wang, Xiumei Pan, Zhongmin Su, Chiachung Sun, Rongshun Wang, Xuri Huang, Theoretical study on the structures, isomerization and stability of SiC4 isomers, Theor. Chem. Acc., 2010, 126(1-2): 15-25.10. Hao Sun, Hongwei Gong, Xiumei Pan, Lizhu Hao, ChiaChung Sun, Rongshun Wang, Xuri Huang, Theoretical investigation of the reaction of CF3CHFOCH3 with OH radical, J. Phys. Chem. A, 2009, 113(20): 5951-5957. 9. Hao Sun, Xuri Huang, Xiumei Pan, Rongshun Wang, Chiachuang Sun, Direct dynamic study on the hydrogen abstraction reaction of H2CO with NCO, Int. J. Chem. Kinet., 2009, 41(6): 394-400. 8. Hao Sun, Hongqing He, Jingyao Liu, Zesheng Li, Xiumei Pan, Rongshun Wang, Direct ab initio dynamics study on the reaction of CH3CHF2 (HFC-152a) with Cl atom, ChemPhysChem, 2008, 9(2): 847-853. 7. Hao Sun, Nannan Tan, Hongqing He, Xiumei Pan, Zhongmin Su, Rongshun Wang, Theoretical study on the structures, isomerization and stability of SiC3H isomers, Theor. Chem. Acc., 2008, 119(4): 501-509. 6. Hao Sun, Hongqing He, Yaru Pan, Xiumei Pan, Zesheng Li, Rongshun Wang, Theoretical study on the hydrogen abstraction reaction of CH3CH2F (HFC-161) with Cl atom, Chem. Phys. Lett., 2008, 450(4-6): 186-191. 5. Hao Sun, Hongqing He, Hongwei Gong, Xiumei Pan, Zesheng Li, Rongshun Wang, Theoretical investigation into the hydrogen abstraction reaction of CH3CH2F (HFC-161) with OH, Chem. Phys., 2006, 327(1): 91-97.4. LiLi Zhou, Hao Sun, Xiaohong Zhang, Shikang Wu, An effective fluorescent chemosensor for the detection of copper(II), Spectrochimica Acta Part A, 2004, 61, 61–65.3. Hao Sun, Yizhen Tang, Zhanliang Wang, Xiumei Pan, Zesheng Li, Rongshun Wang, DFT Investigation of the Mechanism of CH2CO + O(3P) Reaction, Int J Quantum Chem, 2005, 105, 527–532.2. Hao Sun, Yizhen Tang, Zhanliang Wang, Xiumei Pan, Zesheng Li, Rongshun Wang*,DFT study on the mechanisms of the CH2CO + NCX (X=O,S) reactions, J Mol Struct: THEOCHEM, 2005, 757, 143–1481. Hao Sun, Xiumei Pan, Min Zhao, Pengjun Liu, Zhongmin Su, Rongshun Wang*, Density Functional Study on the Mechanism of Collision Reaction among Protons, N2 and Water Vapor，Chinese J Chem, 2004, 22, 594-598.