Authors

Document Type

Article

Publication Date

12-11-2025

Abstract

In the field of single molecule electronics, chemical principles can be used to design molecules that are incorporated into metal-molecule-metal electronic junctions. Computational chemistry has been used to investigate changes in the performance of a single molecule switch. Changes in the on/off ratio of photoswitches due to the addition of electron-donating and electron-withdrawing substituents were observed. In many cases, the electrodes and electrode-molecule coupling have a more pronounced effect on the performance of the junction than other modifications within the molecule at the core of the junction. Chemical modifications on the molecular switch are used to demonstrate the ability to tune the performance of single molecule switches.

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