Zhongfang Chen
Associate Professor
Contact
Office: FB 265
E-mail: zhongfangchen@gmail.com
Education
Ph.D., Nankai University (2000)
Research Interests
Computational chemistry, computational nanomaterials science, physical organic chemistry
Research Focus
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
Zhongfang Chen, Sven Neukermans, Xin Wang, Ewald Janssens, Zhen Zhou, Roger E. Silverans, R. Bruce King, Paul v. R. Schleyer, Peter Lievens
To Achieve Stable Spherical Clusters: General Principles and Experimental Confirmations
J. Am. Chem. Soc. 2006, 128, 12829.
Zhongfang Chen, Chaitanya S. Wannere, Clémence Corminboeuf, Ralph Puchta, Paul. v. R. Schleyer
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
Chem. Rev. 2005, 105, 3842.
Xin Lu, Zhongfang Chen
Curved p-conjugation, Aromaticity and the Related Chemistry of Small Fullerenes (<C60) and Single-Walled Carbon Nanotubes
Chem. Rev. 2005, 105, 3643.
Xin Lu, Zhongfang Chen, Walter Thiel, Paul v. R. Schleyer, Rongbin Huang, Lansun Zheng
Properties of Fullerene[50] and D5h Decachlorofullerene[50]: A Computational Study
J. Am. Chem. Soc. 2004, 126, 14871.
Zhongfang Chen, Shigeru Nagase, Andreas Hirsch, Robert C Haddon, Walter Thiel, Paul v. R. Schleyer
Side-Wall Opening of Single-Wall Carbon Nanotubes (SWCNTs) by Chemical Modification: A Critical Theoretical Study
Angew Chem. Int. Ed. 2004, 43, 1552.
Zhongfang Chen, Andreas Hirsch, Shigeru Nagase, Walter Thiel, Paul v. R. Schleyer
Spherical Sila- and Germa-Homoaromaticity
J. Am. Chem. Soc. 2003, 125, 15507.
Zhongfang Chen, Clémence Corminboeuf, Thomas Heine, Jon Bohmann, Paul v. R. Schleyer
Do All-Metal Antiaromatic Clusters Exist?
J. Am. Chem. Soc. 2003, 125, 13930.
reported in Chemistry Highlights of 2003 (C&EN) (2003,Dec. 22, page 45)
Zhongfang Chen, Haijun Jiao, Andreas Hirsch, Paul v. R. Schleyer
Spherical Homoaromaticity
Angew. Chem. Int. Ed. 2002, 41, 4309.
Andreas Hirsch, Zhongfang Chen, Haijun Jiao
Spherical Aromaticity in Ih-Symmetrical Fullerenes: the 2(N+1)2 Rule
Angew. Chemie. Int. Ed. 2000, 39, 3915.