Organic semiconductors (OSCs) are important components of many emerging technologies: novel LEDs, hybrid photovoltaics and sensors have all been designed with these materials. However, characterizing the optoelectronic properties of OSCs is challenging because of the degree of structural disorder inherent in their function.  In this talk we will discuss some of the ways in which theoretical tools play a crucial role in dissecting the molecular-scale properties of OSCs.  In particular, we will focus on organic LEDs.  How do electrons and holes recombine in a host-guest blend? In what ways does the host influence the optical properties of the guest? What processes govern the near-universal efficiency roll-off that organic LEDs experience at high brightness?  In answering these questions, we will highlight the importance of good electronic structure theory tools in describing the electronic states and the necessity of sound statistical and kinetic arguments in interpreting results.<br/>

Organic semiconductors: Singlets and triplets and charges, oh my!

253rd National Meeting (2017)

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