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

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Abstract

Recent experiments have shown that translational energy loss is mainly mediated by electron–hole pair excitations for hydrogen atoms impinging on clean metallic surfaces. Inspired by these studies, quasi-classical trajectory simulations are here performed to investigate the energy transfer after scattering of hydrogen atoms off clean and hydrogen-covered tungsten (100) surfaces. The present theoretical approach examines the coverage effect of the preadsorbed hydrogen atoms, as was done recently for the (110) crystallographic plane in (J Phys Chem C 125:14075, 2021). As suggested, scattering can be described in terms of three different dynamical mechanisms, the contribution of which changes with coverage, which allow to rationalize the shape of the energy loss spectra.

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Acknowledgements

The authors acknowledge the support of the French Embassy in Cuba, the University of Bordeaux, the CNRS and Erasmus Mundus program for funding and ISM and University of Bordeaux for providing computing resources. This work was conducted in the scope of the transborder joint Laboratory QuantumChemPhys: Theoretical Chemistry and Physics at the Quantum Scale (ANR-10-IDEX-03-02). This study has been partially supported by the European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement \(\hbox {n}^o\)898663 (A.M.M.), the EUR grant NanoX n\(^{\circ }\) ANR-17-EURE-0009 in the framework of the Programme des Investissements d’Avenir (L.U.P.), and the APS-EPS-ICTP Travel Award Fellowship Programme (L.U.P.). O.G. acknowledges financial support by the Gobierno Vasco-UPV/EHU [Project No. IT1569-22]

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Authors and Affiliations

  1. University of Bordeaux, CNRS, Bordeaux INP, ISM, UMR 5255, F-33400, Talence, France

    Raidel Martin Barrios, Cedric Crespos & Pascal Larregaray

  2. DynAMoS (Dynamical processes in Atomic and Molecular Systems), Facultad de Física, Universidad de la Habana, Habana, Cuba

    Raidel Martin Barrios, Aliezer Martínez Mesa & Llinersy Uranga Piña

  3. Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018, Donostia-San Sebastián, Spain

    Oihana Galparsoro

  4. Laboratoire Collisions Agrégats Réactivité (IRSAMC), Université Toulouse III - Paul Sabatier, UMR 5589, F-31062, Toulouse Cedex 09, France

    Aliezer Martínez Mesa & Llinersy Uranga Piña

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  1. Raidel Martin Barrios
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Correspondence to Pascal Larregaray.

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Barrios, R.M., Galparsoro, O., Mesa, A.M. et al. Inelastic scattering of hydrogen atoms off pristine and hydrogen-covered W(100) surfaces. Eur. Phys. J. Spec. Top. 232, 1985–1993 (2023). https://doi.org/10.1140/epjs/s11734-023-00933-2

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