Title
Probing the relationship between molecular packing and optoelectronic properties in molecular electronic materials
Abstract
The properties (electronic, optical, mechanical and thermal) of organic semiconductors are strongly dependent on the chemical structure, configuration, conformation and relative position of the component molecules or molecular segments. Predicting the impact of structure on properties requires a detailed understanding of molecular interactions and dynamics at an atomistic level, as well as computationally efficient means of translating structural information into optoelectronic properties at a macroscopic, device relevant level. Although predictive models are not yet available except for simple systems, significant progress has been made toward this goal, making use of multi-scale modeling techniques, coarse graining approaches, and structural measurements of model material systems. In this talk we will review methods used to simulate the structure – property relationship in organic semiconductors, and will present combined experimental and theoretical studies of a number of applications relevant systems including disordered and multicrystalline molecular and conjugated polymer films. We investigate the use of coarse grained methods to rationalize the electronic properties of such systems. We discuss how these methods may contribute to the design of high performance organic semiconductors.
About Jenny Nelson
Jenny Nelson is a Professor of Physics at Imperial College London, where she has researched novel varieties of material for use in solar cells since 1989. Her current research is focused on understanding the properties of molecular and hybrid semiconductor materials and their application to organic solar cells. This work combines fundamental electrical, spectroscopic and structural studies of molecular electronic materials with numerical modelling and device studies, with the aim of optimising the performance of solar cells based on molecular and hybrid materials. She also works with the Grantham Institute for Climate Change at Imperial to explore the mitigation potential of renewables energy technologies. She is an ISI Highly Cited Researcher (2014) and has published over 200 articles in peer reviewed journals, several book chapters and a book on the physics of solar cells. She was elected as a Fellow of the Royal Society in 2014.
