Unveiling field-coupled nanocomputing: Leaning molecules to shape readable bits

Abstract Molecular field-coupled nanocomputing (molFCN) encodes information in the molecule charge distribution and elaborates it through electrostatic coupling. Despite the advantageous sub-nanometric size and low-power dissipation, only a few attempts have been made to validate the technology experimentally. One of the obstacles is the difficulty in measuring molecule charges to validate information encoding or integrate molFCN with complementary-metal-oxide-semiconductor (CMOS). In this work, we propose a paradigm preserving the advantages of molFCN, which exploits the position of waiving molecules to augment the information encoding. We validate the paradigm, named bend-boosted molFCN, with density functional theory using 6-(ferrocenyl)hexanethiol cations. We demonstrate that the encoded information can be electrically read by constituting a molecular junction. The paradigm is compatible with the charge-based molFCN, thus acting as a readout system. The obtained results favor the experimental assessment of the molFCN principle through scanning probe microscopy techniques and the design of molFCN-CMOS heterogeneous circuits.