Molecular Junctions for an Effective Readout in Molecular Field-Coupled Nanocomputing

The Molecular Field-Coupled Nanocomputing (MolFCN) is a candidate technology for future digital electronics devices. Unlike CMOS, MolFCN relies on a non-conductive principle, in which the binary information is encoded in the polarization state of molecules, enabling fast and low-power digital computation. Due to the different MolFCN and CMOS operating principles, the scientific community is still seeking solutions to enable the integration of MolFCN with CMOS electronics. In this work, we propose a method to transduce charge-based information encoding into electrical quantities using single-molecule junctions. In particular, we demonstrate, with ab initio calculation, that the OPE3 junction changes its conduction properties when exposed to a dipole moment. This work identifies molecular junctions as possible candidates for providing hybrid integration with CMOS, favoring the assessment of MolFCN technology.