Research Article

Theoretical Investigation of Design Methodology, Optimized Molecular Geometries, and Electronic Properties of Benzene-Based Single Molecular Switch with Metal Nanoelectrodes

Table 8

Calculated values of the potential energy of BDT molecular switch with Au, Ag, Pt, and Pd electrodes for OFF and ON states.

MoleculeStateAu (111)Ag (111)Pt (111)Pd (111)

BDTOFF
BDTON