CO on Pt(111): A puzzle revisited

R.A. Olsen; P.H.T. Philipsen; E.J. Baerends

doi:10.1063/1.1593629

CO on Pt(111): A puzzle revisited

R.A. Olsen
, P.H.T. Philipsen
, E.J. Baerends

Research output: Contribution to Journal › Article › Academic › peer-review

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Abstract

A linear combination of atomic orbitals (LCAO) approach was employed to obtain density functional theory (DFT)/generalized gradient approximation (GGA) results for the CO/Pt(111) system using a slab representation of the surface. Results indicate that the DFT/GGA method correctly predicts the most stable adsorption site for this system.

Original language	English
Pages (from-to)	4522-4528
Journal	Journal of Chemical Physics
Volume	119
Issue number	8
DOIs	https://doi.org/10.1063/1.1593629
Publication status	Published - 2003

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111)

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abstract = "A linear combination of atomic orbitals (LCAO) approach was employed to obtain density functional theory (DFT)/generalized gradient approximation (GGA) results for the CO/Pt(111) system using a slab representation of the surface. Results indicate that the DFT/GGA method correctly predicts the most stable adsorption site for this system.",

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CO on Pt(111): A puzzle revisited

Abstract

Bibliographical note

UN SDGs

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