Scaled Degree of Rate Control: Identifying Elementary Steps That Control Differences in Performance of Transition-Metal Catalysts

Degree of rate control (DoRC) analysis is a valuable method for identifying influential elementary steps in heterogeneous catalytic processes. By extending the concept of DoRC through explicit incorporation of intrinsic parametric correlations relating chemistry on transition-metal surfaces, we introduce the concept of “scaled degree of rate control” (S-DoRC). This approach identifies relevant rate- or selectivity-controlling steps that are tunable within the confines of parametric correlations on transition-metal surfaces, by quantitatively modifying conclusions drawn from typical DoRC analysis through the use of empirically derived scaling factors for each elementary step.