O-W-408-4 Adsorbate Interactions with Metal Nanoparticles

Wednesday, June 17, 2015: 10:40 AM
408-410 (Lawrence Convention Center)
Natalie Austin, Giannis Mpourmpakis and Michael Taylor, University of Pittsburgh, USA.
Metal nanoparticles (NPs) find tremendous applications as catalysts in industry. Understanding of metal-adsorbate interactions is key to controlling the catalytic behavior of NPs. We use Density Functional Theory (DFT) to assess adsorbate binding behavior as a function of NP morphology (size and shape) and metal composition.

Extended Abstracts: