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Title: | Hydrogen scattering from a cesiated surface model | Authors: | Rutigliano, M. Palma, A. Sanna, Nico |
Journal: | SURFACE SCIENCE | Issue Date: | 2017 | Abstract: | A cesiated surface model was considered to study the dynamics of hydrogen atom scattering using a semiclassical collisional method. Using dipole correction method, the work function of the considered surface, is calculated to be 1.81 eV (± 0.02) eV. The Potential Energy Surface for the interaction of H atoms with the surface was determined via first principle electronic structure calculations including the interaction with both Cs and Mo atoms of the surface. We found the scattered H atoms to have a negative partial charge of nearly 0.4 with the backscattered flux arising mainly from H atoms impinging directly (or very close) to Cs atoms on the surface. On the contrary, H atoms impinging in the voids between the Cs atoms propagate through the first Cs layer and remain adsorbed. The propagation occurs mainly in the vertical direction. The scattering probability after a very quick increase remains almost constant around an average value of 0.35. |
URI: | http://hdl.handle.net/2067/34261 | ISSN: | 0039-6028 | DOI: | https://doi.org/10.1016/j.susc.2017.06.014 | Rights: | Attribution-NonCommercial-NoDerivatives 4.0 International |
Appears in Collections: | A1. Articolo in rivista |
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File | Description | Size | Format | |
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SUSC_2017_AcceptedVersion.pdf | Accepted Version manuscript | 1.54 MB | Adobe PDF | View/Open |
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