成员：2011届博士毕业生
籍贯：江苏灌云
出生日期：1984.10.23
e-mail：liyafei@mail.nankai.edu.cn
个人主页：http://www.researcherid.com/rid/C-5139-2008

教育背景
2002.09---2006.07 重庆大学化学化工学院，获得材料物理与化学专业理科学士学位。
2006.09---至今 南开大学化学学院无机化学专业攻读博士研究生学位。导师是申泮文院士。

2011.8至今，美国波多黎各大学博士后。

研究兴趣
计算化学；计算物理；新能源材料的设计与模拟。

研究经历
自2006年以来，一直从事低维纳米材料的模拟与设计研究工作。在此期间，在J. Am. Chem. Soc., ACS Nano, Chem. Commu, Nano. Lett.等国际一流刊物上发表论文共20余篇，其中影响因子在7.0以上的有5篇。所发表的文章已经被引用200多次。目前h-index为12.

所获奖励
2010.10 教育部博士研究生学术新人奖
2009.10 南开大学优秀研究生特等奖学金，并获得“南开十杰”称号（南开大学学生最高荣誉）。
2009.10 南开大学化学学院杨石先奖学金（化学学院学生最高荣誉）
2007.10 南开大学优秀研究生二等奖学金

学术兼职
为美国化学会旗下杂志J. Phys. Chem., Elsevier旗下杂志Journal of Molecular Structure: THEOCHEM，Computational and Theoretical Chemistry担任审稿人。
文章列表
23. Yafei Li, Fengyu Li, Zhen Zhou, Zhongfang, Chen, SiC2 Silagraphene and Its One Dimensional derivatives: Where Planar Tetra-coordinate Silicon Happens. J. Am. Chem. Soc. 2010 （accepted）(IF = 8.58)
22. Yafei Li, Zhen Zhou, Peng Jin, Yongsheng Chen, Shengbai B. Zhang, Zhongfang Chen Achieving Ferromagnetism in Single-crystalline ZnS Wurtzite Nanowires via Cr-doping
J. Phys. Chem. C 2010, 114, 12099. (IF = 4.224)
21. Qing Tang, Yafei Li, Zhen Zhou, Yongsheng Chen,and Zhongfang Chen
Tuning Electronic and Magnetic Properties of Wurtzite ZnO Nanosheets by Surface Hydrogenation
ACS Appl. Mater. Interfaces. 2010, 2, 2442.
20. Yafei Li, Zhen Zhou, Panwen Shen, Zhongfang Chen,
Two Dimensional Polyphenylene:Experimentally Availble Porous Graphene as H2 Purification Membrane
Chem. Comm. 2010, 46, 3672. (IF = 5.504)
(被 Nature China重点报道)
19. Yafei Li, Zhenyu Yang, Zhen Chen, Zhen Zhou
Computational Investigation on Structural and Physical Propeties of AlN Nanosheets and Nanoribbons
J. Nanosci. Nanotech. (Accepted)
18. Yafei Li, Zhen Zhou, Guangtao Yu, Wei Chen and Zhongfang Chen
CO Catalytic Oxidation on Iron-Embedded Graphene: Computational Quest for Low-Cost Nanocatalysts
J. Phys. Chem.C 2010, 114, 6250 (IF = 4.224) (被选为该期封面).
17. Wei Chen, Yafei Li, Guangtao Yu, Chenzhong Li, Shengbai B. Zhang, Zhen Zhou, Zhongfang Chen
Hydrogenation: A Simple Approach to Realize Semiconductor―Half-Metal―Metal Transition in Boron Nitride Nanoribbons
J. Am. Chem. Soc. 2010, 132, 1699. (IF = 8.58)
16. Wei Chen, Yafei Li, Guangtao Yu, Zhen Zhou, Zhongfang Chen
Electronic Structure and Reactivity of Boron Nitride Nanoribbons with Stone-Wales Defects
J. Chem. Theory Comput. 2009, 5, 3088 (IF = 4.804) (被选为该期封面).
15. Ming Li, Yafei Li, Zhen Zhou, Panwen Shen
Computational Investigation and Design of Nanostructures for Hydrogen Storage
Chinese Science (B) 2009, 39, 971 (in Chinese).
14. Yafei. Li, Zhen Zhou, Panwen Shen, Zhongfang Chen
Structural and Electronic Properties of Graphane Nanoribbons
J. Phys. Chem. C 2009, 113, 15043. (IF = 4.224) 13. Yafei Li, Zhen Zhou, Panwen Shen, Zhongfang Chen
Spin Gapless Semiconductor-Metal-Half metal Properties in Nitrogen-Doped Zigzag Graphene Nanoribbons
ACS Nano 2009, 3, 1952. (IF = 7.493)
12. Yafei Li, Zhen Zhou, Yongsheng Chen, Zhongfang Chen
All Wurtzite Nanotubes Prefer Faceted Ones?
J. Chem. Phys. 2009, 130, 204706. (IF = 3.093)
11. Ming Li, Yafei Li, Zhen Zhou, Panwen Shen, Zhongfang Chen
-Coated Boron Fullerenes and Nanotubes as Superior Hydrogen Storage Materials
Nano Lett 2009, 9, 1944. (IF =9.991)
10. Zhenyu Yang, Yafei Li, Zhen Zhou
Functionalization of BN Nanotubes with Free Radicals: Electroaffinity-Independent Configuration and Band Structure Engineering
Front. Phys. China. 2009, 4, 378.
9. Yafei Li, Zhen Zhou, Panwen Shen, S. B. Zhang, Zhongfang Chen
Computational Studies on Hydrogen Storage in Aluminum Nitride Nanowires/tubes Nanotechnology 2009, 20, 215701. (IF = 3.137)
8. Zhen Zhou, Yafei Li
w Different Are BN Nanotubes from Carbon Nanotubes?
J. Comput. Theor. Nanosci. 2009, 6, 327. (IF = 0.899)
7. Yafei Li, Zhen Zhou, S. B. Zhang, Zhongfang Chen
S2 nanoribbons: High Stability and unusual Electronic and Magnetic Properties
J. Am. Chem. Soc. 2008, 130, 16739. (IF = 8.58) 6. Lian Sun, Yafei Li, Zhenyu Li, Qunxiang Li, Zhen Zhou, Zhongfang Chen, Jinlong Yang, and Jianguo Hou
ectronic Structures of SiC Nanoribbons
J. Chem. Phys. 2008, 129, 174114. (IF = 3.093)
5. Yafei Li, Zhen Zhou, Lianbang. Wang
CNx nanotubes with Pyridine-Like Structures: P-type Semiconductors and Li Storage Materials
J. Chem. Phys. 2008, 129, 104703. (IF = 3.093)
4. Zhen Zhou, Yafei Li, Lu Liu, Yongsheng Chen, S.B. Zhang, Zhongfang Chen
Size- and Surface-Dependent Stability, Electronic Properties, and Potential as Chemical Sensors: Computational Studies on One-Dimensional ZnO Nanostructures
J. Phys. Chem. C 2008, 112, 13926. (IF = 4.224)
3. Yafei Li, Zhen Zhou, Dmitri Golberg, Yoshio Bando, Paul von Ragué Schleyer, Zhongfang Chen
Stone-Wales Defects in Single-Walled BN Nanotubes: Formation Energies, Electronic Structures and Reactivity
J. Phys. Chem. C 2008, 112, 1365. (IF = 4.224)
2. Yafei Li, Zhen Zhou, Jijun Zhao
Functionaliztion of BN Nanotubes with Dichlorocarbenes
Nanotechnology 2008, 19, 015202. (IF = 3.137)
1. Yafei Li, Zhen Zhou, Jijun Zhao
Transformation from Chemisorption to Physisorption with tube diameter and gas concentration: Computational Studies on NH Adsorption in BN Nanotubes3
J. Chem. Phys. 2007, 127, 184705. (IF = 3.093)