The optical photoswitching of conductivity of a diarylperfluorocyclopentene nanowire is investigated using Green's function method combined with density functional theory. A model closer to the real molecular electronic device is considered with relaxation of the molecular geometry under the interaction with external electric field. The ratio of conductance for the closed- and open-ring forms is on the order of magnitude 102. The influence of the HOMO-LUMO gaps and the spatial distributions of frontier molecular orbitals on the quantum transport through the molecular wire is investigated.
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Physical and Theoretical Chemistry
- Surfaces, Coatings and Films