Towards small switches: The relationship between molecular orbitals and the conductance of a molecular wire, composed of a nanosized graphite sheet and two gold chains, is described. Useful rules for effective quantum transport are given, and a new model for a molecular switch is proposed. As indicated in the cartoon, the zigzag edges help populate the HOMO and LUMO and thereby play an important role in conductivity.
All Science Journal Classification (ASJC) codes
- Atomic and Molecular Physics, and Optics
- Physical and Theoretical Chemistry