Ph.D., Nankai University (2000)
Computational chemistry, computational nanomaterials science, physical organic chemistry
Nanomaterials (such as clusters, nanotubes, nanocables, nanowires) exhibit unusual mechanical, optical, electrical and magnetic properties, and promise to be an exciting field for basic and applied research. Our laboratory is performing computations on a broad range of nanomaterials, investigating their intrinsic properties, designing new materials with desired properties, and studying their effects to environment and human health. Our approach is interdisciplinary, combining quantum mechanics, chemistry, materials science, physics and biology. Recent projects include, but not limited to:
- One-dimensional nanomaterials (nanotubes, nanocables, peapods, etc)
- Novel materials for hydrogen and lithium storage
- Endohedral metallofullerenes and related endohedral clusters
- Molecules with novel bonding patterns- Planar hypercoordinate carbon and other elements
- Novel aromaticity- Toxicity prediction of nanomaterials
- Photocatalysis and fuel cell
Selected Recent Publications
Hydrogenation: A Simple Approach To Realize Semiconductor−Half-Metal−Metal Transition in Boron Nitride Nanoribbons
Wei Chen, Yafei Li, Guangtao Yu, Chen-Zhong Li, Shengbai B. Zhang, Zhen Zhou and Zhongfang Chen
J. Am. Chem. Soc., 2010, ASAP DOI: 10.1021/ja908475v
Oxidation Unzipping of Stable Nanographenes into Joint Spin-rich Fragments
Xingfa Gao, Lu Wang, Yuhki Ohtsuka, De-En Jiang, Yuliang Zhao, Shigeru Nagase, Zhongfang Chen
J. Am. Chem. Soc. 2009, 131, 9663–9669.
Homoconjugation/Homoaromaticity in Main Group Inorganic Molecules
Qin Zhang, Shiping Yue, Xin Lu, Zhongfang Chen, Rongbin Huang, Lansun Zheng,
Paul von Ragué Schleyer
J. Am. Chem. Soc., 2009, 131, 9789–9799.
Ca-Coated Boron Fullerenes and Nanotubes as Superior Hydrogen Storage Materials
Ming Li, Yafei Li, Zhen Zhou, Panwen Shen, Zhongfang Chen
Nano Lett., 2009, 9, 1944-1948.
MoS2 Nanoribbons: High Stability, Unusual Electronic and Magnetic PropertiesYafei Li, Zhen Zhou, Shengbai Zhang, Zhongfang Chen
J. Am. Chem. Soc. 2008, 130, 16739-16744.