Molecular Ingredients of Heterogeneous Catalysis
نویسندگان
چکیده
منابع مشابه
Application of molecular modelling in heterogeneous catalysis research
Traditionally, heterogeneous catalysis has largely been an experimental field. While this is still true today, it is increasingly recognized that computer modelling and simulation are important tools in the study and development of catalytic systems. Molecular modelling has the potential to provide new insights into reaction pathways, to predict properties of catalysts that have not yet been sy...
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Examples of enantioselective catalysts, including homogeneous supported catalysts and biphasic liquid/liquid, are described and compared. In the case of asymmetric hydride transfer, polythiourea was proven to be more efficient for ruthenium-catalyzed reduction of aryl ketones, although the iridium complexes gave rise to higher ee when using amino sulfonamide bound to a polystyrene matrix. In th...
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I review a concept that models heterogeneous catalysis based on a surface-science approach. It is shown that models catching part of the complexity of the real system, which is connected with the finite size of active components and the flexibility of the arrangement of atoms in the active component, play an important part in determining the activity and selectivity of the system. I have chosen...
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ژورنال
عنوان ژورنال: Journal of The Electrochemical Society
سال: 1984
ISSN: 0013-4651,1945-7111
DOI: 10.1149/1.2115950