278527 Ab Initio Studies of Electron-Driven Photo-Reactions On Surfaces of Plasmonic Metal Nanoparticles

Tuesday, October 30, 2012: 1:30 PM
318 (Convention Center )
Hongliang Xin1, Marimuthu Andiappan2, Phillip Christopher3 and Suljo Linic2, (1)Department of Chemical Engineering, University of Michigan, Ann Arbor, MI, (2)Chemical Engineering, University of Michigan, Ann Arbor, MI, (3)Department of Chemical and Environmental Engineering, University of California, Riverside, Riverside, CA

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.

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See more of this Session: Computational Catalysis III
See more of this Group/Topical: Catalysis and Reaction Engineering Division