--- trunk/COonPt/COonPtAu.tex 2013/06/05 18:27:19 3891 +++ trunk/COonPt/COonPtAu.tex 2013/06/05 21:22:46 3892 @@ -362,16 +362,16 @@ The DFT calculations suggest an increased stability of {\it et al.}\cite{Tao:2010}, who also showed that the addition of CO leads to a reversal in stability. -The DFT calculations suggest an increased stability of 0.1 kcal/mol -per Pt atom, while our force field gives an approximately 0.4 kcal/mol -increase in stability per Pt atom. +The DFT calculations suggest an increased stability of 0.08 kcal/mol +(0.7128 eV) per Pt atom for going from the single to double step +structure in the presence of carbon monoxide. The gold systems show much smaller energy differences between the single and double layers. The weaker binding of CO to Au is evidenced by the much smaller change in relative energy between the structures when carbon monoxide is present. Additionally, as CO-Au binding is -much weaker, it would be unlikely that CO would approach the 50\% -coverage levels operating temperatures. +much weaker than CO-Pt, it would be unlikely that CO would approach +the 50\% coverage levels operating temperatures for the gold surfaces. %Table of single step double step calculations \begin{table}[H]