SurfaceScience21 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 62: Poster Session V: Organic molecules on inorganic substrates: electronic, optical and other properties I
O 62.5: Poster
Mittwoch, 3. März 2021, 10:30–12:30, P
How molecular composition affects molecular double bond switching at metal surfaces: Azobenzene vs. Benzalaniline vs. Stilbene on Ag(111) — •Martin Lea1, David A. Duncan2, and Reinhard J. Maurer1 — 1University of Warwick, Coventry, United Kingdom, CV4 7AL — 2Diamond Light Source, Didcot, United Kingdom, OX11 0DE.
Photoswitches are a class of organic molecules which have shown prevalence within the field of nanotechnology; the ability to reversibly convert between two geometric states as a response to light absorption has shown prospects for molecular-based electronics applications, transistors, and storage devices. Integration of such organic molecules in devices requires adsorption upon a metal surface, which often leads to quenching of the molecules switching ability. Adsorption of the prominent photoswitch azobenzene upon metallic substrates has shown that the switching behavior observed in both gas and solution phases does not translate to the interface, as the surface modifies the energy landscape. In this work we explore whether this same deactivation effect is consistent with other similar molecular switch architectures. Using dispersion-corrected density functional theory, we explore the consequences of metal adsorption for a series of homologic molecules with central double bonds of varying composition: azobenzene, benzalaniline and stilbene. We compare minimum energy paths and electronic structure characteristics to unveil how molecular architecture can affect switching capabilities at surfaces.