Computational Chemistry and Nano
Associate Professor of Chemistry
Email: ID: shengli.zou
Optical properties of nanoparticles and their applications.
The topic for the optical properties of metal nanoparticles is of potentially significant interest in applications to surface enhanced Raman scattering, biosensors, nanoantennas, optical filters, waveguide and other devices. Advances in modern nanotechnology have enabled precise control in the preparation of particles with specified sizes and shapes. Also, particles can be fabricated into one, two, or three dimensional arrays and other patterns. However the relationship between array structure and optical properties is less well understood.
Research in the Zou lab focuses on the development of new theories and algorithms to facilitate the appreciation between the structures of nanoparticles or nanoapertures and their optical properties. The current projects involve in the studies of particles arrays with complicated structures and the development of the Finite Difference Time Domain (FDTD), Discrete Dipole Approximation (DDA), and Multiple Multipole (MMP) methods. The ultimate goals of those projects are to provide theoretical guidelines in the rational design of new devices and instruments.
Fig. 1 Metal nanoparticle array waveguides: Proposed structures for subwavelength devices
Directed assembly of single walled carbon nanotubes
New algorithms will be developed for simulations of directed or self assembly of carbon nanotubes or other interesting molecules on different surfaces or solutions. The related topics include simulations of self-cleaning surfaces using Molecular Dynamic (MD) and Monte Carlo (MC) methods. The van der Waals and electrostatic interactions between different species will be of specific interest in those projects.
Fig. 2 Directed assembly of single walled carbon nanotubes on a rationally designed surface
Self cleaning surfaces
Using Molecular Dynamics and Monte Carlo methods, we are interested in exploring surfaces with different properties. The superhydrophobic surfaces with self-cleaning functionalities will be of special interest.
Fig. 3 Water droplet on a lotus leaf.
CHM3422 (Applied Physical Chemistry)
CHM3411 (Physical Chemistry II)
"Controlling the Shape, Orientation and Pitch
of Carbon Nanotube Features Using Nano
Affinity Templates” Yuhuang Wang, Daniel Maspoch, Shengli Zou, George C. Schatz, Richard E. Smalley, Chad A. Mirkin, Proc.
Nat. Acad. Sci. USA (2006) 103,2026-2031
array structures that produce giant enhancements in electromagnetic fields” Shengli Zou and George C. Schatz,
Phys. Lett, (2005) 403(1-3) 62-67.
“Finding sharp extinction peak in one and two
dimensional silver nanoparticle arrays“, Shengli Zou, Nicolas Janel, George C. Schatz, J. Chem. Phys., (2004)
Full dimensionality quantum calculations of acetylene/vinylidene
isomerization” Shengli Zou, and Joel M.
Bowman J. Chem. Phys. (2002)
117 (12): 5507-5510