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  The dynamics of molecular interactions and chemical reactions at metal surfaces: Testing the foundations of theory.

Golibrzuch, K., Bartels, N., Auerbach, D. J., & Wodtke, A. M. (2015). The dynamics of molecular interactions and chemical reactions at metal surfaces: Testing the foundations of theory. Annual Review of Physical Chemistry, 66, 399-425. doi:10.1146/annurev-physchem-040214-121958.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0026-C652-4 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0027-CE0E-5
Genre: Journal Article

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2149558.pdf (Publisher version), 565KB
 
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 Creators:
Golibrzuch, K.1, Author              
Bartels, N.1, Author              
Auerbach, D. J.1, Author              
Wodtke, A. M.1, Author              
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1Department of Dynamics at Surfaces, MPI for biophysical chemistry, Max Planck Society, ou_578600              

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Free keywords: catalysis; nonadiabatic theory; surface scattering; surface chemistry; surface dynamics
 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.

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Language(s): eng - English
 Dates: 2015-01-122015-04
 Publication Status: Published in print
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 Rev. Method: Peer
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Title: Annual Review of Physical Chemistry
Source Genre: Journal
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Pages: - Volume / Issue: 66 Sequence Number: - Start / End Page: 399 - 425 Identifier: -