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      From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis

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          Why gold is the noblest of all the metals

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            Catalytic Synthesis of Ammonia—A “Never-Ending Story”?

            Nitrogen atoms are essential for the function of biological molecules and thus are and important component of fertilizers and medicaments. Bonds to nitrogen also find nonbiological uses in dyes, explosives, and resins. The synthesis of all these materials requires ammonia as an activated nitrogen building block. This situation is true for natural processes and the chemical industry. Knowledge of the various techniques for the preparation of ammonia is thus of fundamental importance for chemistry. The Haber-Bosch synthesis was the first heterogeneous catalytic system employed in the chemical industry and is still in use today. Understanding the mechanism and the translation of the knowledge into technical perfection has become a fundamental criterion for scientific development in catalysis research.
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              Understanding Trends in the Electrocatalytic Activity of Metals and Enzymes for CO2 Reduction to CO.

              We develop a model based on density functional theory calculations to describe trends in catalytic activity for CO2 electroreduction to CO in terms of the adsorption energy of the reaction intermediates, CO and COOH. The model is applied to metal surfaces as well as the active site in the CODH enzymes and shows that the strong scaling between adsorbed CO and adsorbed COOH on metal surfaces is responsible for the persistent overpotential. The active site of the CODH enzyme is not subject to these scaling relations and optimizes the relative binding energies of these adsorbates, allowing for an essentially reversible process with a low overpotential.
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                Author and article information

                Journal
                Journal of Catalysis
                Journal of Catalysis
                Elsevier BV
                00219517
                August 2015
                August 2015
                : 328
                :
                : 36-42
                Article
                10.1016/j.jcat.2014.12.033
                fd0cf91d-75d4-439f-825f-f103fb2ef335
                © 2015
                History

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