Affiliation:
1. Institute for Physical Chemistry, University of Göttingen, D-37077 Göttingen, Germany
2. Max Planck Institute for Biophysical Chemistry, D-37077 Göttingen, Germany;
Abstract
We review studies of molecular interactions and chemical reactions at metal surfaces, emphasizing progress toward a predictive theory of surface chemistry and catalysis. For chemistry at metal surfaces, a small number of central approximations are typically made: (a) the Born-Oppenheimer approximation of electronic adiabaticity, (b) the use of density functional theory at the generalized gradient approximation level, (c) the classical approximation for nuclear motion, and (d) various reduced-dimensionality approximations. Together, these approximations constitute a provisional model for surface chemical reactivity. We review work on some carefully studied examples of molecules interacting at metal surfaces that probe the validity of various aspects of the provisional model.
Subject
Physical and Theoretical Chemistry
Cited by
103 articles.
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