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Title: Selective nanomechanics of aromatic versus aliphatic thiolates on gold surfaces
Author: Zoloff Michoff, Martin E.
Ribas Ariño, Jordi
Marx, Dominik
Keywords: Nanotecnologia
Issue Date: 25-Feb-2019
Publisher: American Physical Society
Abstract: Thiolated gold nanointerfaces play a key role in numerous fields of science, technology, as well as modern medicine to coat, functionalize, and protect. Our computational study reveals that the mechanical vs thermal stabilities of aliphatic thiolates on gold surfaces are strikingly different from those of aromatic thiolates. The aliphatic thiolates feature, at the same time, a higher thermal desorption energy but a lower mechanical rupture force than thiophenolates. Our analysis discloses that this most counterintuitive property is due to different mechanochemical detachment mechanisms. Electronic structure analyses along the detachment pathways trace this back to the distinct electronic properties of the S─Au bond in stretched nanojunctions. The discoveries that it is a higher thermal stability that entails a lower mechanical stability and that mechanical loads generate different local nanostructures depending on the nature of the thiolate are highly relevant for the rational design of improved thiol-gold nanocontacts.
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It is part of: Physical Review Letters, 2019, vol. 122, p. 086801
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ISSN: 0031-9007
Appears in Collections:Articles publicats en revistes (Ciència dels Materials i Química Física)

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