(296b) Role of Defects on CoOx nanoparticle Structure and Water Splitting Activity
AIChE Annual Meeting
Tuesday, November 9, 2021 - 1:00pm to 1:20pm
Investigation of CoOx nanoislands has previously found undercoordinated edge sites are important for the activity of CoOx nanoislands [2,5]. However, other types of defects their effects, such as Fe dopants and oxygen line defects, are less understood. It is known that reversible formation of oxygen line defects in bilayer CoO nanoislands exist, before a transition to the OER active CoO2 phase takes place. DFT calculations have been done to investigate the formation of oxygen line defects to understand how these defects effect CoOx nanoparticleâs structure and activity. Fe dopants defects how their presence changes these systems will also be presented. By looking at the role these defects have on structure and how those structural features effect activity, we hope to guide further design of oxide and mixed oxide catalysts for OER.