10.1021/acs.jpclett.8b01185.s001 Shuguang Chen Shuguang Chen GuanHua Chen GuanHua Chen Mark A. Ratner Mark A. Ratner Designing Principles of Molecular Quantum Interference Effect Transistors American Chemical Society 2018 subsystem Simulation results quantum interference quantum interference effect transistors Molecular Quantum Interference Effect Transistors Designing Principles 2018-05-11 00:00:00 Journal contribution https://acs.figshare.com/articles/journal_contribution/Designing_Principles_of_Molecular_Quantum_Interference_Effect_Transistors/6275786 To 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.