Effect of Electrode Connection Location on a Spiropyran‐Based Single‐Molecule Switch

Abstract A set of spiropyran/merocyanine (S/M) switches are investigated to demonstrate the significance of the location of electrode linker connections on the performance of a single‐molecule switch for molecular electronics. Electron transmission is calculated through molecular junctions with the S/M switch oriented perpendicular to the direction of current. The calculated switch performance depends strongly on the electrode connection location. When connected through the chromene unit, the switch operates as expected, with the S form (“off”) having less current than the M form (“on”). When the electrodes are connected through the indoline unit, it is possible for the S form to have more current than the M form.