# Effect of Bridging Manner on the Transport Behaviors of Dimethyldihydropyrene/Cyclophanediene Molecular Devices

## TL;DR

This study explores how different bridging methods affect the performance of molecular switches made of DHP/CPD molecules and graphene nanoribbon electrodes.

## Contribution

The study shows that bridging manner can modulate current and ON/OFF ratios by over three orders of magnitude in molecular devices.

## Key findings

- Changing the bridging manner alters current values and ON/OFF ratios significantly.
- Bridging affects electron transport by modifying energy level alignment between the molecule and electrodes.
- The results offer practical insights for designing molecular switches with distinct conductance and switching performance.

## Abstract

A molecule–electrode interface with different coupling strengths is one of the greatest challenges in fabricating reliable molecular switches. In this paper, the effects of bridging manner on the transport behaviors of a dimethyldihydropyrene/cyclophanediene (DHP/CPD) molecule connected to two graphene nanoribbon (GNR) electrodes have been investigated by using the non-equilibrium Green’s function combined with density functional theory. The results show that both current values and ON/OFF ratios can be modulated to more than three orders of magnitude by changing bridging manner. Bias-dependent transmission spectra and molecule-projected self-consistent Hamiltonians are used to illustrate the conductance and switching feature. Furthermore, we demonstrate that the bridging manner modulates the electron transport by changing the energy level alignment between the molecule and the GNR electrodes. This work highlights the ability to achieve distinct conductance and switching performance in single-molecular junctions by varying bridging manners between DHP/CPD molecules and GNR electrodes, thus offering practical insights for designing molecular switches.