Regensburg 2013 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 39: Organic Electronics and Photovoltaics IV (joint session CPP/HL/O/DS)

CPP 39.12: Talk

Thursday, March 14, 2013, 12:45–13:00, H34

First-principles calculations of the TCO-Organic interface in an OLED — •Arno Fey¹, Paul Erhart², and Karsten Albe¹ — ¹Fachbereich Material- und Geowissenschaften, Technische Universität Darmstadt, Darmstadt, Germany — ²Department of Applied Physics, Chalmers University of Technology, Gothenburg, Sweden

The ongoing development in the field of organic light emitting diode (OLED) technology and the continuously improvement towards higher efficiencies has created a need to understand the interaction between the different layers in an OLED. In this contribution we focus on the interface of the transparent conductive oxide (TCO) and the organic molecule. The interaction between the polar and hydrophilic oxide surface on the one side and the organic and non-polar thin film on the other side determines the growing of the organic film and therefore directly influences the conductivity. The calculations based on the density functional theory (DFT) were carried out using the Vienna ab initio simulation Package (VASP) with Generalized Gradient Approximations (GGA).