Edge effects in quantum cellular automata binary wire

Abstract

The molecular quantum cellular automata approach provides a paradigm for molecular electronics, where the charge configurations at reduction–oxidation centers of molecules represent binary information. The QCA cells are coupled by electrostatic fields and enable implementing devices for digital data transmission and logic operation at the molecular scale. Designing inputs for the desired operation of molecular QCA devices has been a challenging task, where the edge effects of electrodes may reduce the reliability of the QCA devices. We calculate the fringing fields of a pair of electrodes implemented on a model platform for the operation of a molecular QCA binary wire. The calculated nanogap and fringing fields are used in a simple quantum mechanical model to analyze the edge effects on the polarization propagation and polarization loss throughout the wire. Discussions on the stability of the wire in the presence of the fringing fields using the excited state of the wire and polarization uncertainties are presented.