A single atom change turns insulating saturated wires into molecular conductors.

ABSTRACT: We present an efficient strategy to modulate tunnelling in molecular junctions by changing the tunnelling decay coefficient, β, by terminal-atom substitution which avoids altering the molecular backbone. By varying X = H, F, Cl, Br, I in junctions with S(CH₂)_(10-18)X, current densities (J) increase >4 orders of magnitude, creating molecular conductors via reduction of β from 0.75 to 0.25 Å^-1. Impedance measurements show tripled dielectric constants (ε_r) with X = I, reduced HOMO-LUMO gaps and tunnelling-barrier heights, and 5-times reduced contact resistance. These effects alone cannot explain the large change in β. Density-functional theory shows highly localized, X-dependent potential drops at the S(CH₂)_nX//electrode interf

SUBMITTER: Chen X 

PROVIDER: S-EPMC8187423 | biostudies-literature | 2021 Jun

REPOSITORIES: biostudies-literature