Article ID Journal Published Year Pages File Type
195881 Electrochimica Acta 2007 5 Pages PDF
Abstract

Ligand effects in surface reactivity are discussed on the basis of extensive density functional theory calculations. The d-band model is reviewed and it is shown that it can be used to rationalize trends in reactivity in heterogeneous catalysis and electrochemistry.

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Physical Sciences and Engineering Chemical Engineering Chemical Engineering (General)
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Ligand effects in heterogeneous catalysis and electrochemistry
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