Control of electron transport through Fano resonances in molecular wires

TL;DR

This paper investigates how Fano resonances in molecular wires with fluorenone units can be controlled via chemical modifications or conformational changes, enabling potential applications in single-molecule sensing.

Contribution

It demonstrates the ability to manipulate electron transport in molecular wires through side group modifications, revealing a new mechanism for molecular sensor design.

Findings

Fano resonances occur near the Fermi energy due to side groups.

Electron transport can be tuned chemically or conformationally.

Sensitivity to side group changes is unique compared to Breit-Wigner resonances.

Abstract

Using a first principles approach, we study the electron transport properties of two molecules of length 2.5nm which are the building blocks for a new class of molecular wires containing fluorenone units. We show that the presence of side groups attached to these units leads to Fano resonances close to the Fermi energy. As a consequence electron transport through the molecule can be controlled either by chemically modifying the side group, or by changing the conformation of the side group. This sensitivity, which is not present in Breit-Wigner resonances, opens up new possibilities for novel single-molecule sensors.