Open Access. Powered by Scholars. Published by Universities.®

Digital Commons Network

Open Access. Powered by Scholars. Published by Universities.®

Theses/Dissertations

University of Tennessee, Knoxville

Physics

DFT

2014

Articles 1 - 1 of 1

Full-Text Articles in Entire DC Network

Probing The Size Dependent Chemical Properties Of Metals In Reduced Dimension, Xiangshi Yin Aug 2014

Probing The Size Dependent Chemical Properties Of Metals In Reduced Dimension, Xiangshi Yin

Doctoral Dissertations

Heterogeneously catalyzed reactions typically start with adsorption and dissociation of reactant molecules on the surface of a solid catalyst. In many instances, this is followed by surface diffusion of the adsorbed species, chemical reaction, and removal of the product molecule. According to the Sabatier principle, optimal catalytic performance requires that the bonding between the adsorbate molecule and the surface should neither be too strong nor too weak. This bonding strength is directly related to the catalyst’s surface electronic structure and hence, electronic structure modification would seem a promising approach for tuning catalytic activity.

There have been many studies along this …