Nan Shao

We have studied a new triarylamine based molecule that can absorb more solar energy than earlier ones. Some experimental observations have been explained with careful quantum chemistry calculations. In another project, a series of different materials for the acceptor component of the device, paired with the same donor component have been investigated. The relationship between the driving force (i.e. the LUMO offset ) and the exciton dissociation rate at the interface between the donor and five fullerene based acceptors seems to follow the Marcus Theory.

• B.S.: Donghua University of China
• Master: University of Science & Technology of China
  • Major: Analytical Chemistry
• PhD: Nebraska University-  Lincoln
  • Major: Physical Chemistry
  • Dissertation: Computational Studies of Clusters

• Postdoctoral Research: Oak Ridge National Laboratory
  • Department of Chemistry
  • Project: Theoretical studies of functionalized sulfone solvents with high oxidation potentials

Shao, N.; Sun, X. G.; Dai, S.; and Jiang, D. E. Oxidation potentials of functionalized sulfone solvents for high-voltage Li-ion batteries: a computational study. J. Phys. Chem. B 2012, 116, 3235-3238.

Gao, Y.; Shao, N.; Pei, Y.; Chen, Z. F.; Zeng, X. C. Catalytic activities of subnanometer gold clusters (Au16-Au18, Au20, and Au27-Au35) for CO oxidation ACS NANO. 2011, 5, 7818-7829.

Shao, N.; Huang, W.; Gao, Y.; Wang, L-M.; Li, X.; Wang, L-S.; Zeng, X. C., Probing the structural evolution of medium-sized gold clusters: Aun− (n = 27 to 35). J. Am. Chem. Soc. 2010, 132, 6596-6605.