Understanding and controlling the orbital alignment of molecules positioned between electrodes is important within the design of practically-applicable molecular and nanoscale digital gadgets. The orbital alignment is extremely decided by the molecule-electrode interface. Dependence of orbital alignment on the molecular anchor group for single molecular junctions has been intensively studied; nevertheless, when scaling-up single molecules to massive parallel molecular arrays (like self-assembled monolayers (SAMs)), two challenges must be addressed: 1. Most desired anchor teams don’t type prime quality SAMs. 2. It’s a lot more durable to tune the frontier molecular orbitals by way of a gate voltage in SAM junctions than in single molecular junctions. On this work, we studied the impact of the molecule-electrode interface in SAMs with a micro-pore system, utilizing a just lately developed tetrapodal anchor to beat problem 1, and the mix of a single layered graphene high electrode with an ionic liquid gate to unravel problem 2. The zero-bias orbital alignment of various molecules was signalled by a shift in conductance minimal vs. gate voltage for molecules with totally different anchoring teams. Molecules with the identical spine, however a special molecule-electrode interface, had been proven experimentally to have conductances that differ by an element of 5 close to zero bias. Theoretical calculations utilizing density practical idea assist the developments noticed within the experimental information. This work sheds mild on management electron transport inside the HOMO-LUMO power hole in molecular junctions and will likely be relevant in scaling up molecular digital techniques for future system functions.
