Searching the hearts of graphene-like molecules for simplicity, sensitivity and logic

TL;DR

This paper introduces a simple analytic theory called M-functions that accurately predicts conductance in PAHs, enabling better design of molecular electronics and phase-coherent logic functions.

Contribution

The study develops and validates a parameter-free analytic model for interference patterns in PAHs, advancing molecular electronics design.

Findings

M-functions accurately predict conductance ratios in PAHs.

The model offers new strategies for molecular design and logic functions.

Enhanced sensitivity in molecular-scale interferometers.

Abstract

If quantum interference patterns in the hearts of polycyclic aromatic hydrocarbons (PAHs) could be isolated and manipulated, then a significant step towards realizing the potential of single-molecule electronics would be achieved. Here we demonstrate experimentally and theoretically that a simple, parameter-free, analytic theory of interference patterns evaluated at the mid-point of the HOMO-LUMO gap (referred to as M-functions) correctly predicts conductance ratios of molecules with pyrene, naphthalene, anthracene, anthanthrene or azulene hearts. M-functions provide new design strategies for identifying molecules with phase-coherent logic functions and enhancing the sensitivity of molecular-scale interferometers.