Issue 13, 2023

Anti-ohmic nanoconductors: myth, reality and promise

Abstract

The recent accomplishment in the design of molecular nanowires characterized by increasing conductance with length has led to the origin of an extraordinary new family of molecular junctions referred to as “anti-ohmic” wires. Herein, this highly desirable, non-classical behavior, has been examined for molecules long-enough to exhibit pronounced diradical character in their ground state within the unrestricted DFT formalism with spin symmetry breaking. We demonstrate that highly conjugated acenes signal higher resistance in an open-shell singlet (OSS) configuration as compared to their closed-shell counterparts. This anomaly has been further proven for experimentally certified cumulene wires, which reveals phenomenal modulation in the transport characteristics such that an increasing conductance is observed in the closed-shell limit, while higher cumulenes in the OSS ground state yield regular decay of conductance.

Graphical abstract: Anti-ohmic nanoconductors: myth, reality and promise

Supplementary files

Article information

Article type
Paper
Submitted
23 Jan 2023
Accepted
03 Mar 2023
First published
03 Mar 2023

Phys. Chem. Chem. Phys., 2023,25, 9607-9616

Anti-ohmic nanoconductors: myth, reality and promise

A. Bajaj and Md. E. Ali, Phys. Chem. Chem. Phys., 2023, 25, 9607 DOI: 10.1039/D3CP00366C

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements