李海蓓

2014年03月31日 09:43 admin 点击:[]

李海蓓,山东大学(威海),澳门6766网站net应用化学系,副教授。

Email: lihaibei@sdu.edu.cn

2010年博士毕业于中国科学技术大学化学物理系。硕博阶段主要从事化学反应机理和分子之间弱相互作用的理论研究。2010年7月至2013年8月,在日本京都大学福井谦一基础化学研究所与国际知名的理论化学家Keiji Morokuma教授合作,从事碳纳米材料生长机理的分子动力学理论研究,在石墨烯、碳纳米管、富勒烯的生长机理方面取得了重要进展。2013年9月至今,加入山东大学(威海)澳门6766网站net应用化学系。

近五年在Journal of American Chemical Society, Chemical Science, Nano letters, Journal of Physical Chemistry Letters, Chemical Communication等期刊上发表SCI科技论文40余篇。

科 研 经 历

2010.7~2013.8 日本京都大学 福井谦一基础化学研究所

2012.9~2012.10 德国布莱梅大学 计算材料科学实验室

2004.9~2010.7 中国科学技术大学 化学物理系 合肥微尺度物质科学国家实验室

研 究 课 题

1. 纳米材料包括纳米管、石墨烯、富勒烯生长机理的分子动力学研究;

2. 运用全局搜索(GRRM)方法进行碳氢化合物燃烧反应化学机理研究;

3. 运用GRRM全局搜索方法进行有机催化的化学选择性和手性的反应机理研究;

4. 分子之间有机氟氢键以及弱相互作用的理论研究。

近五年部分代表论文如下(*为通讯作者):

1. “Single-walled Carbon Nanotube Growth from Chiral Carbon Nanorings: Prediction of Chirality and Diameter Influence on Growth Rates”

Hai-Bei Li, Alister. J. Page, Stephan Irle and Keiji Morokuma

J. Am. Chem. Soc. 134(38), 15887-15896, 2012

2. “Theoretical Insights into Chirality-Controlled SWCNT Growth from a Cycloparaphenylene Template”

Hai-Bei Li, Alister. J. Page, Stephan Irle and Keiji Morokuma

ChemPhysChem, 13(6), 1479-1485, 2012 (封面文章)

3. “Sub-surface nucleation of graphene precursors near a Ni(111) step-edge”

Hai-Bei Li, Alister. J. Page, Ying Wang, Stephan Irle and Keiji Morokuma

ChemCommun, 48(64), 7937-7939, 2012

4. “Revealing the Dual Role of Hydrogen for Growth Inhibition and Defect Healing in Polycyclic Aromatic Hydrocarbon Formation: QM/MD Simulations ”

Hai-Bei Li, Alister. J. Page, Stephan Irle and Keiji Morokuma

J. Phys. Chem. L, 4(14), 2323-2327, 2013

5. “Temperature Dependence of Catalyst-Free Chirality-Controlled Single-Walled Carbon Nanotube Growth from Organic Templates ”

Hai-Bei Li, Alister. J. Page, Stephan Irle and Keiji Morokuma

J. Phys. Chem. L, 4(18), 3176-3180, 2013

6. “Nucleation of Graphene Precursors on Transition Metal Surfaces: Insights from Theoretical Simulations”

Alister. J. Page, Ying Wang,Hai-Bei Li, Keiji Morokuma and Stephan Irle

J. Phys. Chem. C, 117(28), 14858-14864,2013

7. “Step-edge self-assembly during graphene nucleation on a nickel surface: QM/MD simulations”

Ying Wang, Alister. J. Page,Hai-Bei Li, Keiji Morokuma and Stephan Irle (共同第一作者)

Nanoscale, 6(1),140-144, 2014

8. “Graphene Nucleation on a Surface-Molten Copper Catalyst: Quantum Chemical Molecular Dynamics Simulations”

Hai-Bei Li, Alister J. Page, Christian Hettich, Balint Aradi, Christof Koehler, Thomas Frauenheim, Stephan Irle, Keiji Morokuma

Chemical Science, 5, 3493-3500, 2014

9. “A sigma-hole interaction with radical species as electron donors: does single-electron tetrel bonding exist?”

Qing-Zhong Li*, Xin Guo, Xin Yang, Wen-Zuo Li, Jian-Bo Cheng,Hai-Bei Li*

Phys. Chem.Chem. Phys. 16(23), 11617-11625, 2014

10. “Asymmetric Phase-Transfer Catalysis with Homo- and Heterochiral Quaternary Ammonium Salts: A Theoretical Study”

Galina P. Petrova,Hai-Bei Li,Keiji Maruoka, and Keiji Morokuma

J. Phys. Chem. B, 118 (19), 5154–5167, 2014

11. “Hydrogen-Bonding Interactions and Molecular Packing in Polyimide Fibers Containing Benzimidazole Units”

Jie Dong, Chaoqing Yin, Zixin Zhang, Xinyu Wang,Hai-Bei Li, Qinghua Zhang

Macromolecular Materials and Engineering, 299 (10), 1170-1179, 2014

12. “Tetrel–Hydride Interaction between XH3F (X = C, Si, Ge, Sn) and HM (M = Li, Na, BeH, MgH)”

Qing-Zhong Li*, Hong-Ying Zhuo,Hai-Bei Li*,Zhen-Bo Liu, Wen-Zuo Li, Jian-Bo Cheng

The journal of physical chemistry A, 119(11), 2217-2224, 2015

13. “Nearly Exclusive Growth of Small Diameter Semiconducting Single-Wall Carbon Nanotubes from Organic Chemistry Synthetic End-Cap Molecules”

Bilu Liu , Jia Liu ,Hai-Bei Li, Radha Bhola, Edward A. Jackson, Lawrence T. Scott, Alister Page, Stephan Irle, Keiji Morokuma, and Chongwu Zhou*

Nano Letters, 15(1), 586-595, 2015 (理论第一作者)

14.“How do organic gold compounds and organic halogen molecules interact? Comparison with hydrogen bonds”

Meng Gao, Qingzhong Li,*Hai-Bei Li,*Wenzuo Li and Jianbo Cheng

RSC advances, 5(17), 12488-12497, 2015.

15. “The ONIOM Method and its Applications”

Lung Wa Chung, W. M. C. Sameera, Romain Ramozzi, Alister J. Page, Miho Hatanaka, Galina P. Petrova, Travis V. Harris, Xin Li, Zhuofeng Ke, Fengyi Liu,Hai-Bei Li,Lina Ding, and Keiji Morokuma*,

Chemical Review, 115(2), 5678-5796, 2015

16. “Positive Effect of Water in Asymmetric Direct Aldol Reactions with Primary-Amine Organocatalyst: Experimental and Computational Studies”

Shin A. Moteki, Hiroki Maruyama, Keiji Nakayama,Hai-Bei Li, Galina Petrova,Satoshi Maeda, Keiji Morokuma,* and Keiji Maruoka*

Chemistry-an Asian Journal, 2015, 10, 2112-2116

17. “Quantum Chemical Simulation of Carbon Nanotube Nucleation on Al2O3 Catalysts via CH4 Chemical Vapor Deposition”

Alister J. Page *, Supriya Saha,Hai-Bei Li, Stephan Irle *, and Keiji Morokuma *

J. Am. Chem. Soc. 137(29), 9281-9288, 2015

18. “Complicated synergistic effects between metal- interaction and halogen bonding involving MCCX”

Meng Gao, Qingzhong Li*, Jianbo Cheng, Wenzuo Li,Hai-Bei Li*

RSC advances, 2015, 5, 105160-105168.

19. “Synthesis and Anticancer Activities of Glycyrrhetinic Acid Derivatives.”

Li, Yang; Feng, Ling; Song, Zhi-Fang;Hai-Bei Li,*Huai, Qi-Yong*

Molecules, 2016, 21(2), 199, doi:10.3390/molecules21020199

20. “Origin of selenium-gold interaction in F2CSe⋯AuY (Y = CN, F, Cl, Br, OH, and CH3): Synergistic effects”

Xin Guo, Yu-Ping Yang, Qing-Zhong Li,*Hai-Bei Li*

J. Chem. Phys. 2016, 144(11), 114306

21. “Bioaccessibility and health risk assessment of copper, cadmium and zinc in 'colored' oysters”

Mei He, Cai-Huan Ke, Lei Tian,Hai-Bei Li*,

Archives of Environmental Contamination and Toxicology, 2016, 70(3), 595-606

22. “The effects of molecular properties on ready biodegradation of aromatic compounds in the OECD 301B CO2 Evo2lution test”

Mei He, Cheng-Fang Mei, Guo-Ping Sun,Hai-Bei Li,Lei Liu, Mei-Ying Xu*

Archives of Environmental Contamination and Toxicology, 71, 2016, 133-145

23. “High-efficiency Entrapment of Large-Diameter Semiconducting Carbon Nanotubes by Photodegradable Substituted-Hexaaza-Pentacene for High-Performance Thin Film Transistors”

Jie Han, Hongbo Li, Gang Li, Qiyan Ji, Song Qiu *,Hai-Bei Li *,Qichun Zhang, Hehua Jin and Qingwen Li, *and Jin Zhang

ChemCommun, 2016, 52, 7683-7686.

24. “Experimental and computational studies on molecularly imprinted solid-phase extraction for gonyautoxins 2,3 from dinoflagellate Alexandrium minutum”

Ziru Lian,Hai-Bei Li*,Jiangtao Wang*

Analytical and Bioanalytical Chemistry, 2016, 408(20), 5527-5535

25. “Spanning the “Parameter Space” of Chemical Vapor Deposition Graphene Growth with Quantum Chemical Simulations”

Alister J. Page*, Izaac Mitchell,Hai-Bei Li,Ying Wang, Menggai Jiao, Stephan Irle, and Keiji Morokuma

J. Phys. Chem. C, 2016, 120 (26), pp 13851–13864 (feature article)

26. “Comparison of tetrel bonds and halogen bonds in complexes of DMSO with ZF(3)X (Z = C and Si; X = halogen)”

Quanchao Wei, Jianbo Cheng, Wenzuo Li, Qing-Zhong Li,*Hai-Bei Li*

RSC Advances, 2016, 6(82), 79245 - 79253

27. “Tetrel bond of pseudohalide anions with XH3F (X = C, Si, Ge, and Sn) and its role in SN2 reaction”

Mingxiu Liu, Qingzhong Li,* Jianbo Cheng, Wenzuo Li,Hai-Bei Li*

J. Chem. Phys. 2016, 145(22) 224310-224317

28. “Supramolecular interactions via hydrogen bonding contributing to citric-acid derived carbon dots with high quantum yield and sensitive photoluminescence”

Wenkai Zhang, Lijuan Shi, Yingqiu Liu, Xianrui Meng, Hao Xu, Yuanqing Xu, Xiaomin Fang*,Hai-Bei Li*, and Tao Ding*

RSC Adv. 2017, 7, 20345-20353.

29. “Naphthalene-based Polyimide Derivatives as Organic Electrode Materials for Lithium-ion Batteries”

Chaoyi Chen, Xin Zhao*,Hai-Bei Li,Feng Gan, Junxian Zhang, Jie Dong and Qinghua Zhang ELECTROCHIMICA ACTA, 2017, 229, 387-395

著作:

1. “Noncovalent Forces” chapter 5 “Hydrogen Bonds Involving Radical Species”

Qing-Zhong Li,*Hai-Bei Li*

Computational Chemistry and Physics, ISBN:978-3-319-14162-6, Springer International Publishing, Switzerland, 2015.

教授课程:

本科生:《结构化学》、《专业英语》、《计算化学》

研究生:《理论计算化学》、《英文科技论文写作》

招生方向:药物化学,药物设计,反应机理,自组装

招生专业:药物化学

研究室成员:

李海蓓

贾晴晴(1134934126@qq.com)

罗默(446926093@qq.com)

王晶晶(1762851830@qq.com)

王浩元(联合培养)

于逸飞(联合培养)

欢迎对药物化学、药物设计、反应机理和自组装等研究方向感兴趣的同学报考我的研究生。

奖励及荣誉:

1. 首批山东大学(威海)青年学者未来计划入选者

2. 2016届毕业生“我最喜爱的老师”

3. 2017届毕业生“我最喜爱的老师”

项目基金情况:

1. 国家自然科学基金青年项目,21403127、铜表面催化石墨烯CVD生长动力学的理论研究、2015/01-2017/12、25万元、在研、主持。

2. 山东省自然科学基金青年项目,ZR2014BQ015、单壁碳纳米管有机合成生长动力学的理论研究、2014/12-2017/12、10万元、在研、主持。

3. 山东大学基本科研业务费青年培养项目,2014ZQXM009,有机合成法生长单壁碳纳米管的微观机理研究、2014/03-2016/02,8万元、在研、主持。

4. 山东大学基本科研业务费重点项目,2015ZZXM001,有机氟氢键和常规氢键本质异同的理论研究、2015/01-2016/12, 22万,在研,主持。

5. 山东大学青年学者未来计划,2015WHWLJH06,有机聚合物分离单壁碳纳米管的理论研究,28万,在研,主持。

6. 国家自然科学基金青年项目,41506092、基于理论计算的膝沟藻毒素分子印迹固相萃取机理研究、2016/01-2018/12、20万元、在研、主要参与人(2/5)。


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