By Ron Mertens

This is a guest post by SCM’s business developer Fedor Goumans

To further improve the efficiency and life-time of organic light-emitting diodes (OLEDs), ultimately the properties of underlying materials need to be tweaked at the molecular level. In materials science, as in other fields, modeling has become a more wide-spread tool integrated with experiments for a holistic research & development approach.

In particular, high-throughput screening computational screening may considerably reduce experimental costs for synthesizing and testing new materials. At the molecular level there are a few properties that are important for OLED life-time and efficiency. A simplified set up for an OLED device is depicted in Figure 1. The charge mobility and light emission properties can be predicted with computational chemistry, as explained below.

  • about Modeling molecular properties for OLED materials

Source:: Modeling molecular properties for OLED materials