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CAER Seminars

Molecular and Nano-scale Materials for Catalysis and Energy Applications through Theory-Driven Design

Chad Risko
Center for Organic Electronics & Photonics, Georgia Institute of Technology

April 1, 2014 at 3:00pm
Ben Bandy Conference Center
UK Center for Applied Energy Research


As theoretical materials chemists, our research looks to uncover critical relationships among molecular composition, assembly, and the resulting electronic and redox properties of organic-based and nano-scale materials of interest for catalysis and energy conversion and storage applications. Here, I will introduce our multiscale theoretical toolbox and show how it has been used in the study of π-conjugated organic materials employed in the active layers of organic solar cells. I will then discuss opportunities for new research avenues. The aim of our studies, often performed within the framework of highly multidisciplinary research teams, is to probe molecular-scale connections within these complex materials systems so as to evolve the chemical insight necessary to a priori design molecules and interfaces that can control the processes key to efficient device operation.