Graham Griffin, PhD
Computational analysis through density matrix quantum mechanics was performed to model exciton migration in two-dimensional space for a zinc-substituted tetraazaphthalocyanine. The model produced resembles a two-dimensional sheet of molecules. Energy transport mechanisms, controlled by point dipole couplings, were evaluated while altering the size of the crystal lattice. It was determined that energy transport was much more significant with a decreasing size of the crystal lattice. Likewise, the result of increasing the size of the crystal lattice had the effect of dampening the rate of energy transport. It was of interest to determine, with varying crystal lattice dimensions, the time that it would take for an excitation placed at one site to migrate across the lattice and back to its original site.
Etnyre, Christian D.
"Modeling Exciton Migration in Two-Dimensional Space,"
DePaul Discoveries: Volume 12, Article 4.
Available at: https://via.library.depaul.edu/depaul-disc/vol12/iss1/4