Adsorption and Dissociation of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>on Mg Surfaces

Jens K. Nørskov; A. Houmøller; Peter Johansson; Bengt I. Lundqvist

doi:10.1103/physrevlett.46.257

Abstract

A self-consistent calculation of the potential-energy surface for a molecule (${\mathrm{H}}_{2}$) on a metal surface [Mg(0001)] is presented. The following experimentally observable adsorption features are identified and interpreted: (i) an activation barrier for molecular adsorption, (ii) a mobile molecularly chemisorbed state ("precursor state"), (iii) an activation barrier for dissociation (${{E}_{a}}^{d}$), and (iv) a strong dependence of ${{E}_{a}}^{d}$ on the adsorption-site geometry.

Keywords

AdsorptionDissociation (chemistry)MoleculePhysical chemistryMaterials sciencePhysicsChemistryQuantum mechanics

Affiliated Institutions

Aarhus University DK

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Publication Info

Year: 1981
Type: article
Volume: 46
Issue: 4
Pages: 257-260
Citations: 231
Access: Closed

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Adsorption and Dissociation of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>on Mg Surfaces

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APA Style

                            
                                
                                    Jens K. Nørskov, 
                                
                                    A. Houmøller, 
                                
                                    Peter Johansson
                                
                                et al.
                            
                            (1981). 
                            Adsorption and Dissociation of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>on Mg Surfaces. 
                            Physical Review Letters
                            , 46
                            (4)
                            , 257-260.
                            https://doi.org/10.1103/physrevlett.46.257
                        

Identifiers

DOI: 10.1103/physrevlett.46.257