ArticleThe journal of physical chemistry. C, Nanomaterials and interfaces2026
Heteroatom Effects on Quantum Interference in Molecular Junctions: Exploring Perturbation through Multiple Cross-Conjugation.
Article in The journal of physical chemistry. C, Nanomaterials and interfaces, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Understanding how quantum interference (QI) controls charge transport through metal | molecule | metal junctions is central to the progress of molecular electronics. In this work, scanning tunneling microscopy break junction (STM-BJ) measurements combined with charge transport calculations have been used to investigate, for the first time, the conductance of single-molecules that combine (i) multiple cross-conjugation points, (ii) nonalternant frameworks, and (iii) heteroatoms in the conductance pathway. The six studied molecules are symmetrical triaryl systems, each containing two terminal 1,3-difunctionalized pyrrole rings. Their structures vary in three aspects: (i) the anchoring groups (SMe or thiolate), (ii) the connectivity (
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