Project Title

Exciton Transport in Organic Complexes: Hopping v. Tunneling

PI

Mark T. Lusk

Email

mlusk@mines.edu

Department

Physics

Project summary

Phonon-assisted exciton transport in organic complexes can proceed in two ways: exciton hopping from molecule to molecule; or exciton tunneling between molecules. Understanding the conditions under which each occurs is important for designing organic solar cell materials because they result in widely varying transport efficiencies and, hence, solar cell efficiencies. This project uses high performance computing to elucidate the precise conditions for which tunneling transport can proceed in a molecular triad: benzophenone-fluorene-naphthalene.

Commercial software

None.

Open Source software

PARSEC, SIESTA, NWChem, RGWBS and the NANOPSE suite.