Giacomo Agnesod
Investigation of metal/organic interfaces for organic and molecular electronics.
Rel. Mariagrazia Graziano, Gianluca Piccinini, Yuri Ardesi, Fabrizio Mo. Politecnico di Torino, Master of science program in Nanotechnologies For Icts, 2023
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Abstract
The investigation of the interface between metal substrate and adsorbed organic molecules is of primary interest in organic and molecular electronics research. The electronic properties of the devices are affected by the interface interaction, thus determining the efficiency and functionality of the device. This work consists of the study of metal phthalocyanines, respectively CoPc, ZnPc, and MgPc, deposited through thermal evaporation PVD on a polycrystalline gold substrate, following a step-wise method to investigate both monolayer and thin films. The samples are analyzed by photoemission spectroscopy (XPS and UPS). Where available, the experimental results are compared to ab initio simulations in the density functional theory framework of idealized systems, that consider an Au(111) surface.
Particular attention is dedicated to the self-organization of the organic monolayer, obtained through a geometry optimization that simulates the relaxation processes, and on the calculation of the electron density, that is connected to the intensity and direction of the interface charge transfer
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