(A) Activation energy for AB hydrolysis in the reaction pathway in Fig. 2 and (B) adsorption energy of AB on (a) Rh24 or (b) Rh12Cu12 clusters.
| Clusters | (A) Activation Energy | (B) Adsorption Energy of AB/kcal mol−1 | ||
|---|---|---|---|---|
| First attack of H2O (step 1)/kcal mol−1 | Second attack of H2O (step 2)/kcal mol−1 | |||
| a | Rh24 | 38.5 | 10.4 | 14.1 |
| b | Rh12Cu12 | 24.8 | 15.0 | 22.1 |