Electron transport in three-dimensional molecular complexes

This paper documents a coherent modeling method and its application to examine electron transport in molecular complexes for the envisioned molecular electronics. For nanoelectronics, these three-dimensional (3D) multi-terminal networked molecular complexes should exhibit desired characteristics as well as be interconnected. In addition to coherent study of electron transport in complex molecules, our analysis integrates contact-molecule interface. Modeling and analysis are based on the tight-binding Hamiltonian and Schrodinger equation. The reported results are applied and verified examining electron transport in functionalized two-terminal organic molecules.