jz8b01185_si_001.pdf (439.67 kB)
Designing Principles of Molecular Quantum Interference Effect Transistors
journal contribution
posted on 2018-05-11, 00:00 authored by Shuguang Chen, GuanHua Chen, Mark A. RatnerTo
explore the designing principles for the quantum interference
effect transistors, a series of simulations are carried out on a 2,5-linked
perylene molecular junction composed of two subsystems connected via
destructive quantum interference. Simulation results suggest that
the overall conductance of a large π-conjugated system is determined
by its subsystem connected directly to the electrodes. A Büttiker
probe can be treated as a resistor, and to first-order approximation,
its effect is found equivalent to severing its surrounding bonds.
These findings greatly simplify the design of molecular quantum interference
effect transistors.