FH seminar: Prof. Barry Dunietz - Modeling Photo and Bias Induced Electron transfer and transport. An ab-initio perspective on kinetics

Date: 

Thu, 09/06/2022 - 11:00 to 12:00

Location: 

Los Angeles Bld., Jerusalem, Israel
Abstract:
Charge transfer and transport processes through molecular interfaces are ubiquitous and of a
crucial role in determining functionality of biological systems and in enabling energy conversion applications. We study computationally such processes to understand structure-function relationships at the molecular level.

We will discuss studies in the following two primary fields: (1) Photovoltaic and charge
transfer properties of organic semiconductors materials. (2) Charge transport through
voltage-biased molecular scale bridges. Importantly we establish predictive computational
scheme that addresses key challenges. Our studies are employed in conjunction with
experimental efforts to design materials and applications that control and tune relevant
physical properties.