Dresden 2020 – scientific programme
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O: Fachverband Oberflächenphysik
O 63: Focus Session: Functional Molecules at Surfaces III
O 63.1: Talk
Wednesday, March 18, 2020, 10:30–10:45, TRE Ma
Molecular Nanotribology: Nanomanipulation & Dynamics of Single-Molecules at Surfaces. — •J.G. Vilhena1, Remy Pawlak1, Philipp D'Astolfo1, Shi-Xia Liu2, Silvio Decurtins2, Justin A. Lemkul3, Giacomo Prampolini4, Thilo Glatzel1, Alexis Baratoff1, Rúben Pérez5, and Ernst Meyer1 — 1University of Basel, Switzerland — 2University of Berne, Switzerland — 3Virginia Tech, USA — 4ICCOM-CNR, Italy — 5Universidad Autónoma de Madrid, Spain
Understanding the motion/dynamics of a single molecule over a surface is a problem of a paramount importance in designing advanced molecular nanostructures/assemblies. The interest is better realized by the broad spectrum of promising applications including molecular electronic devices, tribology/corrosion inhibition, and 3D nanopatterning. One possible route to achieve a higher control on molecular diffusion along predetermined pathways would be to access the single-molecule mechanics during their on-surface displacements.Twenty years after the first atomic-manipulation it became possible to record the time variations of mechanical forces as we manipulate a molecule over a surface --cryo-force-spectroscopy. In this talk I shall discuss how dedicated all atom molecular dynamics simulations (based in first-principles simulations) coupled with cryo-force-spectroscopy measurements provides a comprehensive understanding of complex on-surface dynamics of the molecules (terpyridine, pyrene chains and ssDNA ) over gold surfaces and how dynamic balancing of intra-molecular mechanics and surface comensurability play out in a broad range of conditions.