2022
DOI: 10.1038/s41467-022-29483-2
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Tetrathiafulvalenes as anchors for building highly conductive and mechanically tunable molecular junctions

Abstract: The interface between molecules and electrodes has great impact on charge transport of molecular devices. Precisely manipulating the structure and electronic coupling of electrode-molecule interface at a molecular level is very challenging. Here, we develop new molecular junctions based on tetrathiafulvalene (TTF)-fused naphthalene diimide (NDI) molecules which are anchored to gold electrodes through direct TTF-Au contacts formed via Au-S bonding. These contacts enable highly efficient orbital hybridization of… Show more

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Cited by 20 publications
(15 citation statements)
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“…Notably, except the intrinsic electronic structure of molecular wires, the electrode-molecule coupling also largely influences the charge transport efficiency ( 39 ). Directly anchoring the molecular conducting π-channels to electrodes can promote electrode-molecule coupling and increase the conductance of single-molecule devices ( 38 , 40 ).…”
Section: Discussionmentioning
confidence: 99%
“…Notably, except the intrinsic electronic structure of molecular wires, the electrode-molecule coupling also largely influences the charge transport efficiency ( 39 ). Directly anchoring the molecular conducting π-channels to electrodes can promote electrode-molecule coupling and increase the conductance of single-molecule devices ( 38 , 40 ).…”
Section: Discussionmentioning
confidence: 99%
“…[4] The diversity of organic molecules, combined with molecular selfassembly methods, is expected to produce electronic devices with novel structures and specific functions. [5][6][7][8][9] The exploration of electronic devices using molecular materials is currently in a new direction. The self-assembled molecules on the surface can realize large manipulation of the physical properties of inorganic solids, which is a new technology for the preparation of new functional devices.…”
Section: Doi: 101002/smll202203015mentioning
confidence: 99%
“…The other competing factor is the broadening of the frontier resonant peaks, which results from the coupling of molecular states to the extended states of the electrode. 41,42 Here, the reduction in the width of frontier peaks along the series implies that the coupling of acenes with electrodes gets weaken upon increasing the length which plausibly decreases the conductance. This can be directly inferred from the spatial distribution of MOs (Figure S3 in SI) which reveals that orbital coefficients falls off quickly at the terminal connecting sites with increasing length which eventually results in weak coupling with electrodes.…”
Section: Evolution Of Transport Characteristics For Acenesmentioning
confidence: 99%