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CAER Seminars

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

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

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

Abstract:

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.