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- W2015223412 abstract "In this paper some fundamental processes in molecule-surface dynamics are addressed; charge transfer from a metal surface to an incident or adsorbed particle, non-adiabatic electronic processes, and bond breaking dynamics. These processes are illustrated and discussed by referring to two recent experiments and the associated theories. The first example is Cl2 molecules impinging on a clean potassium surface [L. Hellberg, J. Strömqvist, B. Kasemo and B.I. Lundqvist, Phys. Rev. Lett. 74 (1995) 4742]. At ∼7 au from the surface a “harpooning” electron is tunnelling from the metal valence band to the diabatic electron affinity level of Cl2, making a Cl−2 ion. This charge transfer can cause dissociation of Cl2 into Cl and Cl−. As the neutral Cl escapes from the Coulomb repulsion of the Cl− ion, its atomic affinity level is rapidly (<100 fs) shifted downwards in energy, from initially above EF to below the bottom of the valence band. This creates, with a certain probability, a deep Cl 3p hole of sufficient energy to cause emission of electrons (exoelectrons) by Auger decay, or photons by radiative decay (surface chemiluminiscence). In the second example a monolayer of potassium on graphite is exposed to monochromatic photons, causing photodesorption of K atoms [D. Chakarov, L. Österlund, B. Hellsing, V.P. Zhdanov and B. Kasemo, Surf. Sci. 311 (1994) L724]. The picture emerging from calculations is that incident photons create hot electrons by vertical valence-to-conduction band transitions in the graphite bulk. Some of the hot electrons reach the surface, where they scatter into the empty 4s resonance of potassium, converting the ionic adsorbate to a neutral K atom. The latter is a vertical Franck-Condon transition from the ionic ground state to the repulsive wall of the covalent potential energy curve for K-graphite, which causes ejection of K atoms from the surface." @default.
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- W2015223412 title "Charge transfer, electronic quantum processes, and dissociation dynamics in molecule-surface collisions" @default.
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- W2015223412 doi "https://doi.org/10.1016/0039-6028(96)00088-x" @default.
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