Intermolecular Interactions and Quantum Interference Effects in Molecular Junctions.

ABSTRACT: Destructive quantum interference (DQI) leads to a decrease in the conductance of certain well-documented molecules. Experimental observations have revealed both direct and indirect manifestations of DQI, although a comprehensive understanding of the underlying causes of these distinct outcomes remains elusive. In both cases, DQI lowers the conductance, but only the direct case exhibits a characteristic V-shaped dip in differential conductance. Currently, the direct signature has exclusively been observed in monolayers and gated single-molecule systems. In this study, we employ density functional theory to elucidate a plausible explanation for the absence of a direct DQI signature in single molecules. Specifically, we attribute the direct DQI signature to a resonance shift induced by interm

SUBMITTER: Hyllested LOH 

PROVIDER: S-EPMC11659890 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature