Tetraphenylporphyrins at MgO(100): adsorption, level alignment,and the effect ofmulti-layer formation

Description

Porphyrinsarekey elements in organic-inorganic hybrid systems for a widerange ofapplications [1,2]. Understanding their interaction with thesubstrate gives ahandle on structural and electronic device properties. Here weinvestigateCo(II)-tetraphenylporphyrin on the MgO(100) surface and theeffect ofmultilayer film formation within hybrid density functionaltheory and many-bodyperturbation theory. We focus on the relevant adsorptionsites, simulate theirphotoemission spectra as a key fingerprint and compare withexperiments on MgOfilms on Ag(100) [3]. While we find only weak interactionbetween the cobaltcentre and terrace sites on the MgO(100) surface, a stronginteractionmanifests itself with the low-coordinated sites. This leads todistinctfeatures in both the valence and core-level regions of theelectronicstructure, as observed in the ultraviolet and X-rayphotoemission spectra,corroborated by simulated spectra and calculated cobaltcore-level shifts. Our work [4] thus demonstrates the relevance of morphology-relatedlow-coordinatedsites and their properties in the adsorption of CoTPP on theMgO(100) surface.

Period	29 Aug 2022
Event title	ECOSS35 European Conference on Surface Science
Event type	Conference
Location	LuxembourgShow on map