Reuter-Scheffler Model

A full overview of the model is provided in: ReuterScheffler.py

The RS model includes the following elementary reactions:

\begin{align} \text{CO}_{(\text{g})} + \text{*-brg} & \overset{k_\text{CO}^\text{brg}}{\longleftrightarrow} \text{CO}^\text{*}\text{-brg} &\qquad \text{CO adsorption (bridge)} \\ \text{CO}_{(\text{g})} + \text{*-cus} & \overset{k_\text{CO}^\text{cus}}{\longleftrightarrow} \text{CO}^\text{*}\text{-cus} &\qquad \text{CO adsorption (cusp)} \\[6mm] \text{O}_{2(\text{g})} + 2\text{*-brg} & \overset{k_{\text{O}_2}^\text{brg,brg}}{\longleftrightarrow} \text{O}^\text{*}\text{-brg} + \text{O}^\text{*}\text{-brg} &\qquad \text{O adsorption (bridge)}\\ \text{O}_{2(\text{g})} + 2\text{*-cus} & \overset{k_{\text{O}_2}^\text{cus,cus}}{\longleftrightarrow} \text{O}^\text{*}\text{-cus} + \text{O}^\text{*}\text{-cus} &\qquad \text{O adsorption (cusp)}\\ \text{O}_{2(\text{g})} + \text{*-cus} + \text{*-brg} & \overset{k_{\text{O}_2}^\text{cus,brg}}{\longleftrightarrow} \text{O}^\text{*}\text{-cus} + \text{O}^\text{*}\text{-brg} &\qquad \text{O adsorption (cusp + bridge)}\\[6mm] \text{CO}^\text{*}\text{-brg} + \text{O}^\text{*}\text{-cus} & \overset{k_\text{oxi}}{\longleftrightarrow} \text{*}\text{-brg} + \text{*}\text{-cus} + \text{CO}_{2(\text{g})} &\qquad \text{CO oxidation (bridge + cusp)} \\ 2\text{O}^\text{*}\text{-brg} & \overset{k_\text{oxi}}{\longleftrightarrow} 2\text{*}\text{-brg} + \text{CO}_{2(\text{g})} &\qquad \text{CO oxidation (bridge + bridge)} \\ 2\text{O}^\text{*}\text{-cus} & \overset{k_\text{oxi}}{\longleftrightarrow} 2\text{*}\text{-cus} + \text{CO}_{2(\text{g})} &\qquad \text{CO oxidation (cusp + cusp)} \\ \text{CO}^\text{*}\text{-cus} + \text{O}^\text{*}\text{-brg} & \overset{k_\text{oxi}}{\longleftrightarrow} \text{*}\text{-cus} + \text{*}\text{-brg} + \text{CO}_{2(\text{g})} &\qquad \text{CO oxidation (cusp + bridge)} \\ \end{align}

Fig. 3 Lattice generated using the option repeat_cell=(5,5)