于海涛,男,1971年出生,理学博士,教授、博/硕士生导师。
现任黑龙江大学物理化学学科带头人。2002年毕业于吉林大学并获得物理化学专业理学博士学位。1999.11-2002.11年在中国科学院大连化学物理化学研究所分子反应动力学国家重点实验室开展分子反应动力学方面的博士后研究工作。
主要从事计算化学、计算材料科学、化学反应机理等方面的研究工作。主持承担过两项国家自然科学基金项目,共获省科技奖二等奖和三等奖各一项。作为第一或通讯作者,至今已发表SCI论文四十余篇。
一、研究方向
1. 计算化学:方法评估、理论模拟、化学键理论、分子结构;
2. 计算材料科学:材料的结构、磁、电、热等特性;
3. 化学反应机理:热力学及动力学基本物理量分析、复杂反应动力学仿真、反应过程与机理
二、学术荣誉及获奖情况
1. 2005年获得黑龙江省科技技术二等奖(第一完成人);
2. 2006年获得黑龙江省青年科技奖;
3. 2007年被授予黑龙江省优秀教师荣誉称号。
三、主持科研项目情况
1. 国家自然科学基金,Ag(Cu)同步沉积与掺杂的TiO2的表面态和光电性质与光催化性能的关系(20301006),2004.01-2006.12
2. 国家自然科学基金,钙钛矿材料极化表面的结构与稳定化机理(21173072),2012.01-2015.12
四、发表学术论文情况
1. Bing Zheng, Ying Xie, Ying-yi Deng, Zhao-qi Wang, Yuan-qing Lou, Yin-yin Qian, Jing He, Hai-tao Yu*, Highly Effective Work Function Reduction of α-Borophene via Caesium Decoration: A First-Principles Investigation, Adv. Theory Simul., 2020, 1900249.
2. Lujia Liu, Muhammad Ikram, Laifeng Ma, Xueyi Zhang, He Lv, Mohib Ullah, Mawaz Khan, Haitao Yu*, Keying Shia*, Edge-exposed MoS2 nanospheres assembled with SnS2 nanosheet to boost NO2 gas sensing at room temperature, J. Hazardous Mater., 2020, 393, 122325.
3. Hong-jie Qu, Lang Yuan, Cai-xin Jia, Hai-tao Yu*, Hui Xu*, DFT Investigation of Hydrogen Atom Abstraction from NHC-Boranes by Methyl, Ethyl and Cyanomethyl Radicals—Composition and Correlation Analysis of Kinetic Barriers, molecules, 2020, 25, 4509.
4. Hong-jie Qu, Lang Yuan, Cai-xin Jia, Hai-tao Yu*, Hui Xu*, DFT investigation of hydrogen atom-abstraction reactions of NHC-boranes by various carbon-centered radicals: barriers and correlation analyses, RSC Adv., 2020, 10, 34752.
5. Lang Yuan, Cai-Xin Jia, Hong-Jie Qu, Yu-Juan Chi,* and Hai-Tao Yu*, Does the Neophyl-like Rearrangement Play a Decisive Role in Intramolecular Cyclization of Iminyl Radicals? A Combined Quantum Chemistry and Numerical Simulation Investigation of the Cyclization Mechanism and Product Distributions of Bicyclic 2‑Allyl-2-methyl-2,3-dihydro‑1H‑inden-1-iminyl Radical and Several Iminyl Model Compounds, J. Org. Chem. 2019, 84, 2721−2731.
6. Bing Zheng, Liang Qiao, Hai-tao Yu,* Qi-yue Wang, Ying Xie, Chao-qun Qu*, Enhanced field-emission properties of buckled alpha-borophene by means of Li decoration: a first-principles investigation, Phys. Chem. Chem. Phys., 2018, 20, 15139-15148. 2018.05.04
7. Xiao-xu Wang, Lang Yuan, Cai-xin Jia, Hong-jie Qu, Bai-jian Li, Yu-juan Chi and Hai-tao Yu, A combined density functional theory and numerical simulation investigation of levels of chirality transfer and regioselectivity for the radical cyclizations of N-methyl-, N-ethyl- and N-isopropyl-substituted ortho-halo-N-acryloylanilides, New J. Chem., 2018, 42, 9783-9790. 2018.08.21
8. Huan Liu, He Lv, Kan Kan, Yang Liu, Weijun Zhang, Yang Wang, Muhammad Ikram, Lijuan Du, Keying Shi* and Hai-tao Yu*, Biocarbon-templated synthesis of porous Ni–Co-O nanocomposites for room-temperature NH3 sensors, New J. Chem., 2018, 42, 17606-17614
9. Bing Zheng, Hai-tao Yu*, Yong-fu Lian*, Ying Xie, Novel α- and β-type boron sheets: Theoretical insight into their structures, thermodynamic stability, and work functions, Chem. Phys. Lett., 2016, 648, 81-86.
10. Yan-li Zhao, Qin Zhou, Yong-fu Lian*, Hai-tao Yu*, Experimental and theoretical investigation of structures and relative reactivity of Pr@C74 and Pr@C74(C6H3Cl2), Diamond & Related Materials, 2016, 64, 110-118.
11. Hong Chen, Hai-Tao Yu*, Ying Xie, First-principles investigation of stability diagram and electronic properties of SrHfO3 (110) polar terminations, Mater. Chem. Phys., 2016, 174, 195-203
12. Yan-li Zhao, Hai-tao Yu* and Yong-fu Lian*, Experimental and theoretical evaluation of structures of Pr2@C72 and its functionalized adduct with adamantylidene carbene, RSC Adv., 2016, 6, 115113
13. Fazal Raziq, Yang Qu, Xuliang Zhang, Muhammad Humayun, Jing Wu, Amir Zada, Haitao Yu*, Xiaojun Sun, and Liqiang Jing*, Enhanced Cocatalyst-Free Visible-Light Activities for Photocatalytic Fuel Production of g-C3N4 by Trapping Holes and Transferring Electrons, J. Phys. Chem. C, 2016, 120 (1), 98–107
14. Peng Yu, Lei Wang,* Jianqiang Wang, Dongdong Zhao, Chungui Tian, Li Zhao and Haitao Yu*, Graphene-like nanocomposites anchored by Ni3S2 slices for Li-ion storage, RSC Adv., 2016, 6, 48083
15. Bai-jian Li, Hua Zhong,* and Hai-tao Yu*, Theoretical Investigation of Regioselectivity and Stereoselectivity in AIBN/HSnBu3‑Mediated Radical Cyclization of N‑(2-Iodo-4,6-dimethylphenyl)‑N,2-dimethyl-(2E)‑butenamide, J. Phys. Chem. B, 2016, 120, 12950-12958
16. Hong Chen, Yi-hong Ding, Hai-tao Yu, and 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
17. Yan-li Zhao, Qin Zhou, Yong-fu Lian and Hai-tao Yu, Molecular structures of Pr@C72 and Pr@C72(C6H3Cl2): a combined experimental–theoretical investigation, RSC Adv., 2015, 5, 97568
18. Fazal Raziq, Chengming Li, Muhammad Humayun, Yang Qu, Amir Zada, Haitao Yu *, Liqiang Jing*, Synthesis of TiO2/g-C3N4 nanocomposites as efficient photocatalysts dependent on the enhanced photogenerated charge separation, Materials Research Bulletin 70 (2015) 494–499
19. Bing Zheng, Hai-tao Yu, Ying Xie, and Yong-fu Lian, Engineering the Work Function of Buckled Boron α‑Sheet by Lithium Adsorption: A First-Principles Investigation, ACS Appl. Mater. Interfaces 2014, 6, 19690-19701.
20. 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, 2014, 26, 395002.
21. Shu-yao Yan, Ying Xie, Tao Liu, 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, 125501.
五、联系方式
E-mail: yuht@hlju.edu.cn