Selective nanomechanics of aromatic versus Aliphatic Thiolates on Gold Surfaces
| Autor: | Martin E. Zoloff Michoff, Dominik Marx, Jordi Ribas-Arino |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
Modern medicine
Materials science Nanostructure Físico-Química Ciencia de los Polímeros Electroquímica Thermal desorption General Physics and Astronomy Electronic structure Oxidació 01 natural sciences DFT purl.org/becyt/ford/1 [https] 0103 physical sciences Oxidation purl.org/becyt/ford/1.4 [https] Nanotechnology Thermal stability GOLD 010306 general physics Nanotecnologia Rational design Ciencias Químicas THIOLATES Chemical engineering Mechanical stability Nanomechanics MECHANICAL PROPERTIES CIENCIAS NATURALES Y EXACTAS |
| Zdroj: | CONICET Digital (CONICET) Consejo Nacional de Investigaciones Científicas y Técnicas instacron:CONICET Dipòsit Digital de la UB Universidad de Barcelona |
| DOI: | 10.1103/PhysRevLett.122.086801 |
| Popis: | 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 SAu 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. Fil: Zoloff Michoff, Martin Eduardo. Ruhr Universität Bochum; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina Fil: Ribas Arino, Jordi. Universidad de Barcelona; España. Ruhr Universität Bochum; Alemania Fil: Marx, Dominik. Ruhr Universität Bochum; Alemania |
| Databáze: | OpenAIRE |
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