Ab Initio Studies of Electron-Driven Photo-Reactions On Surfaces of Plasmonic Metal Nanoparticles

We recently reported on a new family of photo-catalysts that can efficiently couple thermal energy and photonic stimuli to drive photo-chemical transformations with unprecedentedly high efficiencies.(1,2) These materials are plasmonic nanostructures of coinage metals which respond to low intensity visible light through a formation of energetic electrons which can drive chemical transformations.

We will discuss our approach to study these reactions from first principles. We will focus on the physical foundation for localized surface plasmon resonance. Furthermore, we will show how these states interact with adsorbates to drive observed catalytic processes. We show that the model captures the unique, experimentally observed features of the photo-catalytic processes on plasmonic metals.

1. S. Linic, P. Christopher and D. B. Ingram, Plasmonic-metal nanostructures for efficient conversion of solar to chemical energy, Nature Materials, 10, 911, 2011.

2. P. Christopher, H. Xin and S. Linic, Visible light enhanced catalytic oxidation reactions on plasmonic silver nanostructures, Nature Chemistry, 3, 467, 2011.