Translational Inelasticity of Hydrogen Atoms Scattering off Hydrogen-Covered W(110) Surfaces

Abstract

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Inelastic scattering of hydrogen atoms off pristine and hydrogen-covered W(100) surfaces

“…The observed depletion of the scattering probability can be rationalized in terms of the enhanced adsorption for covered surfaces, as a consequence of the addition of a very efficient dissipation mechanism by H adatoms. This trend is consistent with the results of previous simulations of hydrogen scattering dynamics on metal surfaces [25][26][27] .…”

“…2 of Ref. 27 ). As suggested previously, the shape of the spectra can be also rationalized here in terms of underlying scattering mechanisms.…”

“…Although H atom adsorption on metals is a very efficient process, most experimental and simulated studies carried out to date have focused on atomic hydrogen scattering off clean metallic surfaces rather than H-covered substrates. Contrastingly, recent molecular dynamics simulations addressed the characterization of the energy losses of hydrogen atoms scattered on tungsten (110) substrates, as a function of surface coverage 27 . The question remains as to how the presence of adatoms influence the energy transfer in similar systems, e.g., for other metals or projectiles, and for different topologies of the tungsten surface.…”

Effective medium theory for bcc metals: electronically non-adiabatic H atom scattering in full dimensions

“…The mean energy losses are all about 1 eV, consistent with experimental observations for H atom scattering from fcc metals 24 and similar in magnitude to predictions of another calculation using a reduced dimensional PES. 51 When comparing the four scattering calculations at two temperatures, we see that there is very little difference in the energy loss distributions for Mo and W, when other factors are the same. On the other hand, there is a distinct difference in the energy loss distributions when comparing different surface facets or different temperatures.…”

Direct Chlorination of Ethene on ZnO (0001̅) by Hot Chlorine Atoms

“…The incident H atoms collide on the surface, following which they diffuse or hop on the surface as hot precursors or “hot atoms”. Numerous theoretical studies have been conducted to understand the surface reactions of hot H atoms. − …”