Application of Floquet theory and improvement of electron current flow control in a 1D Fe-Cu molecular chain

Abstract

In this study is investigated the application of Floquet theory to a one-dimensional (1D) Fe–Cu molecular chain under periodic driving. It was demonstrated that orbital hybridization induces resonant behavior in the low-frequency regime, highlighting the potential of this system for energy-efficient and robust device applications. For the first time, a Floquet electronic friction framework—incorporating the influence of periodic driving on electron transfer—is applied to a 1D Fe–Cu molecular chain in the presence of strong light–matter interaction (LMI). Electron transport properties are analyzed, revealing the existence of an optimal driving frequency that maximizes the electric current. Two mechanisms for enhancing charge transport in the strong LMI regime are identified: a) hybridization-induced resonances and b) photon-assisted transport processes. In this work is combined Floquet band structure analysis with open-system transport modeling in a 1D Fe–Cu motif, revealing the impact of hybridization and periodic driving, on the enhancement of electron transport via photon-assisted resonances—an approach that bridges quasi-energy spectra and dissipative transport in a single theoretical framework. These findings provide new insights into driven low-dimensional transition-metal systems and may support the development of Fe–Cu-based materials for electrochemical applications.