(281f) First Principles Modeling of Plasmon-Mediated Charge Transfer Mechanisms for Photo-Catalytic Rate Enhancement
We have recently reported that optically excited plasmonic nano-particles can activate photo-chemical transformations.[1,2] These
reactions exhibit a number of unique characteristics compared to other photo-catalysts and catalytic reactions. In this contribution we
have used quantum chemical ab-initio approaches to model plasmon-mediated photo-chemical reactions on metals.[3–4] A number of
different mechanisms for the hot electron-driven activation of adsorbates on plasmonic metal surfaces will be discussed and analyzed in
the context of experimental results. I will discuss how the electronic structure can drive optical properties and effect chemical
transformations of adsorbates.
 P. Christopher, H. Xin, A. Marimuthu, S. Linic, Singular characteristics and unique chemical bond activation mechanisms of photocatalytic reactions on plasmonic nanostructures., Nat. Mater. 11 (2012) 1044–50.
 S. Linic, P. Christopher, D.B. Ingram, Plasmonic-metal nanostructures for efficient conversion of solar to chemical energy., Nat. Mater. 10 (2011) 911–921.
 L. Genzel, T.P. Martin, U. Kreibig, Dielectric function and plasma resonances of small metal particles, Zeitschrift Für Phys. B Condens. Matter Quanta. 21 (1975) 339–346.
 T. Olsen, J. Schiotz, Origin of Power Laws for Reactions at Metal Surfaces Mediated by Hot Electrons. 23 (2009) 238301.