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Annual Review of Physical Chemistry

Volume 66, 2015

The Dynamics of Molecular Interactions and Chemical Reactions at Metal Surfaces: Testing the Foundations of Theory

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: () the Born-Oppenheimer approximation of electronic adiabaticity, () the use of density functional theory at the generalized gradient approximation level, () the classical approximation for nuclear motion, and () 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.

Keyword(s): catalysis, nonadiabatic theory, surface chemistry, surface dynamics, surface scattering
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/content/journals/10.1146/annurev-physchem-040214-121958
2015-04-01
2024-05-10
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The Dynamics of Molecular Interactions and Chemical Reactions at Metal Surfaces: Testing the Foundations of Theory
Annual Review of Physical Chemistry 66, 399 (2015); https://doi.org/10.1146/annurev-physchem-040214-121958
/content/journals/10.1146/annurev-physchem-040214-121958
/content/journals/10.1146/annurev-physchem-040214-121958
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