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A single atom change turns insulating saturated wires into molecular conductors

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dc.contributor.author Chen, Xiaoping
dc.contributor.author Kretz, Bernhard
dc.contributor.author Adoah, Francis
dc.contributor.author Nickle, Cameron
dc.contributor.author Chi, Xiao
dc.contributor.author Yu, Xiaojiang
dc.contributor.author del Barco, Enrique
dc.contributor.author Thompson, Damien
dc.contributor.author Egger, David A.
dc.contributor.author Nijhuis, Christian A.
dc.date.accessioned 2021-07-08T10:06:20Z
dc.date.available 2021-07-08T10:06:20Z
dc.date.issued 2021
dc.identifier.uri http://hdl.handle.net/10344/10324
dc.description peer-reviewed en_US
dc.description.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 (εr) 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 interface that modifies the tunnelling barrier shape. Commonly-used tunnelling models neglect localized potential drops and changes in εr. en_US
dc.language.iso eng en_US
dc.publisher Nature Research en_US
dc.relation MOE2019-T2-1-137 en_US
dc.relation.ispartofseries Nature Communications;12, 3432
dc.subject tunnelling en_US
dc.subject electrode en_US
dc.title A single atom change turns insulating saturated wires into molecular conductors en_US
dc.type info:eu-repo/semantics/article en_US
dc.type.supercollection all_ul_research en_US
dc.type.supercollection ul_published_reviewed en_US
dc.identifier.doi 10.1038/s41467-021-23528-8
dc.contributor.sponsor Ministry of Education en_US
dc.rights.accessrights info:eu-repo/semantics/openAccess en_US


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