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Quantum Chemistry

Mechanism of molecular conductance enhanced via the D-A effect.

PubMed
Authors: Feng W, Hou T, Li X, Du W, Li Y, Wang Z

Year

2026

Paper ID

35542

Status

Peer-reviewed

Abstract Read

~2 min

Abstract Words

91

Citations

N/A

Abstract

The donor-acceptor (D-A) molecular architecture is widely employed in the design of organic semiconductors; however, its charge transport characteristics at the single-molecule level remain rarely explored. To elucidate the intrinsic mechanism, this study integrates single-molecule conductance measurements, photophysical spectroscopy, and quantum chemical calculations to research D-A molecule systems. It shows that the D-A effect on conductance enhancement is not governed by a reduced molecular bandgap or a lowered charge injection barrier, but related to the reduction in exciton binding energy for the charge when transported across two electrodes through the molecule.

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  • The donor-acceptor (D-A) molecular architecture is widely employed in the design of organic semiconductors; however, its charge transport characteristics at the single-molecule...

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References & Citation Signals

[1] DOI https://doi.org/10.1039/d6cp00130k [2] Publisher https://pubmed.ncbi.nlm.nih.gov/41742762/

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