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

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• 作者：Talin Avanesian ; Phillip Christopher
• 刊名：ACS Catalysis
• 出版年：2016
• 出版时间：August 5, 2016
• 年：2016
• 卷：6
• 期：8
• 页码：5268-5272
• 全文大小：303K
• 年卷期：0
• ISSN：2155-5435

文摘

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.