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于海涛

发布时间:2015-06-05 作者: 浏览量:

 

于海涛 教授,男,197110月出生,理学博士,九三学社成员,黑龙江大学物理化学学科带头人,黑龙江大学物理化学博士点和硕士点导师组组长。19901997年在哈尔滨师范大学学习,获化学教育专业学士和物理化学专业(电化学方向)硕士学位。1997年进入黑龙江大学化学化工学院工作。1999年,进入吉林大学理论化学研究所理论化学计算国家重点实验室,并在著名化学家孙家钟院士指导下攻读物理化学专业(量子与计算化学方向)博士学位,并于20029月获理学博士学位。200211月进入中国科学院大连化学物理研究所分子反应动力学国家重点实验室,作为 韩克利 教授小组的博士后成员从事物理化学专业(分子反应动力学方向)的研究工作,并于200411月博士后出站。2006年晋升为教授,2007年被评为博士生导师。主要承担本科生的《结构化学》、《电池材料》、《应用电化学》、《能源材料》、硕士研究生的《电化学》、《量子化学与群论》、《材料理论设计》、《计算化学理论与方法》及博士研究生的《高等物理化学》等课程的教学工作,是《结构化学》黑龙江省精品课程的负责人。2007年获得黑龙江省优秀教师荣誉称号。曾多次获得各种奖励,并完成多个国家及省部级研究项目,发表被SCI收录的论文86篇,并出版著作2部。目前是中国能源学会理事,多家国际期刊的审稿人。

学       科:物理化学

主要研究方向:计算材料科学、有机反应机理

代表性论文:

1. Hong Chen, Yi-hong Ding, Hai-tao Yu, Ying Xie, First-principles investigation of the electronic properties and stabilities of the LaAlO3 (001) and (110) (1´1) polar terminations, J. Phys. Chem. C, 2015, 119, 9364-9374.

2. Bing Zheng, Hai-tao Yu, Ying Xie, and Yong-fu Lian, Engineering the Work Function of Buckled Boron αSheet by Lithium Adsorption: A First-Principles Investigation, ACS Appl. Mater. Interfaces, 2014, 6, 19690-19701.

3. Ying Xie, Hai-Tao Yu, Ting-Feng Yi, and Yan-Rong Zhu, Understanding the Thermal and Mechanical Stabilities of Olivine-Type LiMPO4 (M = Fe, Mn) as Cathode Materials for Rechargeable Lithium Batteries from First Principles, ACS Appl. Mater. Interfaces 2014, 6, 4033−4042.

4. Lang Yuan, Hai-Tao Yu, Cascade cyclization of 1-(2-yl-3-phenylprop-2-enyl)-6- oxo-1, 6-dihydropyridine-2-carbonitrile radical: Mechanistic insights from DFT study, Comput. Theor. Chem., 2014, 1044, 1-9.

5. Hong Chen, Ying Xie, Guo-xu Zhang and Hai-tao Yu, A first-principles investigation of the stabilities and electronic properties of SrZrO3 (110) (1×1) polar terminations, J. Phys.: Condens. Matter 26 (2014) 395002 (14pp)

6. Guo-Xu Zhang, Ying Xie, Hai-Tao Yu, Hong-Gang Fu, First-principles calculations of the stability and electronic properties of the PbTiO3 (110) polar surface, J. Comput. Chem., 2009, 30(12), 1785–1798

7. Wei Kan, Hua Zhong, Hai-Tao YuTheoretical prediction regarding structural and thermodynamical characteristics of stable CH3PO2 isomers and unimolecular decomposition mechanisms of species CH3P(O)2, CH3O-PO, and CH2P(O)OH, J. Comput. Chem., 2009, 30(14), 2334-2350

8. Shu-yao Yan, Ying Xie, Tao Liu and Hai-tao Yu, Electronic structures and ferroelectric instabilities of cubic AVO3 (A = Sr, Ba, and Pb) perovskites by first-principles calculations, J. Phys.: Condens. Matter, 2010, 22(12), 125501(7pp)

9. Yan-Li Zhao, Wei Kan, Hua Zhong, Hai-Tao Yu*, Hong-Gang Fu, Combined DFT, QCISD(T), and G2 mechanism investigation for the reactions of carbon monophosphide CP with unsaturated hydrocarbons allene CH2CCH2 and methylacetylene CH3CCH, J. Comput. Chem., 2007, 28(7), 1221–1233.

10. Ying Xie, Hai-tao Yu, Guo-xu Zhang, Hong-gang Fu, Jia-zhong Sun, First-Principles Investigation of Stability and Structural Properties of the BaTiO3 (110) Polar Surface, J. Phys. Chem. C, 2007, 111(17), 6343–6349.

11. Wei Kan, Hai-Tao Yu, Hong-Gang Fu, Yi-Qun Wu, Theoretical investigation on the protonation reactions and products of the stable [N,C,C,S] isomers, J. Comput. Chem.,2007, 28(15), 2472-2482.

12. Ying Xie, Hong-gang Fu, Hai-tao Yu, Guo-xu Zhang, Jia-zhong Sun, A first-principles investigation into the ferroelectric and antiferrodistortive instabilities of cubic SrTiO3, J. Phys.: Condens. Matter 19 (2007) 506213 (9pp).

13. Ying Xie, Hai-tao Yu, Guo-xu Zhang and Hong-gang Fu, Lattice dynamics investigation of different transition behaviors of cubic BaTiO3 and SrTiO3 by first-principles calculations. J. Phys.: Condens. Matter, 2008, 20, 215215 (8pp)

 

代表性科研项目 :

1、钙钛矿材料极化表面的结构与稳定化机理,国家自然科学基金,21173072项目承担人,2012.01~2015.12.  

2. 低温燃料电池催化材料的共性物理化学问题和催化本质研究, 国家自然科学基金重点项目(U1034003), 2011.1 ~ 2014.12.