Transport properties of copper phthalocyanine based organic electronic devices

TL;DR

This paper investigates the charge transport properties of copper phthalocyanine in organic electronic devices through combined experimental measurements and theoretical calculations, revealing how contact geometry and charge type influence mobility and transmission.

Contribution

It provides a comprehensive analysis combining experiments and density functional theory to understand charge transport mechanisms in CuPc devices, including effects of contact geometry and fluorination.

Findings

Transport properties depend on charge carrier type and contact geometry.

Experimental results align with theoretical models of single molecule contacts.

Preliminary insights into fluorinated CuPc transport properties.

Abstract

Ambipolar charge carrier transport in Copper phthalocyanine (CuPc) is studied experimentally in field-effect transistors and metal-insulator-semiconductor diodes at various temperatures. The electronic structure and the transport properties of CuPc attached to leads are calculated using density functional theory and scattering theory at the non-equilibrium Green's function level. We discuss, in particular, the electronic structure of CuPc molecules attached to gold chains in different geometries to mimic the different experimental setups. The combined experimental and theoretical analysis explains the dependence of the mobilityand the transmission coefficient on the charge carrier type (electrons or holes) and on the contact geometry. We demonstrate the correspondence between our experimental results on thick films and our theoretical studies of single molecule contacts. Preliminary results for fluorinated CuPc are discussed.