Title: Development of Electrocatalytic Models for Testing Theory
Abstract: One approach for designing improved nanoparticle catalysts involves the use of first-principles calculations, such as density functional theory (DFT), to predict the structural properties of efficient, new materials. As these types of calculations have begun to emerge, however, it has become increasingly clear that there are few really good experimental models available to test their predictions. Dendrimer-encapsulated nanoparticles (DENs) provide an opportunity to meet this need, because their size, composition, and structure can be controlled and because they have a size that is compatible with DFT calculations (< 300 atoms). DENs are synthesized by complexing metal ions with interior tertiary amines of poly(amido amine) (PAMAM) dendrimers, followed by chemical reduction. In this talk, I will discuss the basic approach for synthesizing DENs, provide two examples of the interplay of theory and experiment that leads to a better understanding of electrocatalysis, and then discuss some very recent work focused on more complex (and hence more realistic) electrocatalytic structures comprised of DENs and metal oxide surfaces.
See more of Dr. Crook's research on his website: https://rcrooks.cm.utexas.edu/research/
Location and Address
Chevron 150