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Contacts

Institute of Theoretical and Computational Chemistry
School of Chemistry and Chemical Engineering
Nanjing University
Nanjing 210093
P.R.China

Tel
: 025-83593353
Fax: 025-83686553
Email: zxchen@nju.edu.cn

Our Group

To be updated ......

Left Member

Xiang He (Postdoc.)
       86-25-83686467
Yilin Cao (DG03)
       86-25-83686461-805
Qianlin Tang (DG03)
       86-25-83686461-805
Guojun Kang (DG06)
       86-25-83686467
Ji Zhang, Postdoc left in 2006



Professor Chen is working on theoretical studies of heterogeneous catalytic reactions on surfaces of metals and metallic oxides. He is currently a professor of physical chemistry at Nanjing University. He received a Ph.D. from Nanjing University of Science and Technology in 1999. His research experience includes postdoctoral research in the Department of Chemistry, Nanjing University from June 1999 to Oct 2001, and postdoctoral work in Instiut für Physikalische und Theoretische Chemie, Technische Universität München, as an AvH (Alexander von Humboldt) fellow.

Publications

Modern Theory of Tetrazole Chemistry,
Heming Xiao, Zhaoxu Chen, Science Press, Beijing,2000

Recent Papers

Tang QL, Chen ZX
Density functional slab model studies of water adsorption on flat and stepped Cu surfaces
Surf. Sci. 601 (4): 954-964 FEB 15 2007.

Cao YL, Chen ZX
Slab model studies of water adsorption and decomposition on clean and X- (X = C, N and O) contaminated Pd(111) surfaces
Phys. Chem. Chem. Phys. 9 (6): 739-746 2007.

Cao YL, Chen ZX
Theoretical studies on the adsorption and decomposition of H2O on Pd(111) surface
Surf. Sci. 600 (19): 4572-4583 OCT 1 2006.

Lim KH, Chen ZX, Neyman KM, et al.
Comparative theoretical study of formaldehyde decomposition on PdZn, Cu, and Pd surfaces
J. Phys. Chem. B 110 (30): 14890-14897 AUG 3 2006.

Lim KH, Chen ZX, Neyman KM, et al.
Adsorption of acrolein on single-crystal surfaces of silver: Density functional studies
Chem. Phys. Lett. 420 (1-3): 60-64 MAR 10 2006.

Chen ZX, Lim KH, Neyman KM, et al.
Effect of steps on the decomposition of CH3O at PdZn alloy surfaces
J. Phys. Chem. B 109 (10): 4568-4574 MAR 17 2005.

Zhao-Xu Chen, Konstantin M. Neyman, Kok Hwa Lim and Notker Rosch
CH3O Decomposition on PdZn(111), Pd(111), and Cu(111). A Theoretical Study
Langmuir 2004, 20, 8068.

Chen ZX, Kok Hwa-Lim, Neyman KM and Rosch N
Density functional study of methoxide decomposition on PdZn(100)
Phys. Chem. Chem. Phys., 2004, 6(18), 4499.

Chen ZX, Neyman KM and Rosch N
Theoretical study of segregation of Zn and Pd in Pd-Zn alloys
Surf. Sci. 2004£¬548 (1-3), 291.

Chen ZX, Neyman KM, Gordienko AB and Rosch N
Surface structure and stability of PdZn and PtZn alloys: Density-functional slab model studies
Phys. Rev. B£¬2003£¬68 (7), 075417.

Chen ZX, Chen Y and Jiang YS
Comparative study of ABO3 perovskite compounds. 1. ATiO3 (A = Ca, Sr, Ba, and Pb) perovskites
J. Phys. Chem. B£¬2002£¬106 (39): 9986.

Chen ZX, Chen Y and Jiang YS
DFT study on ferroelectricity of BaTiO3
J. Phys. Chem. B£¬2001£¬105 (24), 5766.

 
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