Anti-ohmic nanoconductors: myth, reality and promise.

Phys Chem Chem Phys

Institute of Nano Science and Technology, Sector-81, Mohali, Punjab-140306, India.

Published: March 2023

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.

Download full-text PDF

Source
http://dx.doi.org/10.1039/d3cp00366cDOI Listing

Publication Analysis

Top Keywords

increasing conductance
8
ground state
8
anti-ohmic nanoconductors
4
nanoconductors myth
4
myth reality
4
reality promise
4
promise accomplishment
4
accomplishment design
4
design molecular
4
molecular nanowires
4

Similar Publications

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!