Energy dissipation to tungsten surfaces upon hot-atom and Eley–Rideal recombination of H2-Reference-Cited by-同舟云学术

Energy dissipation to tungsten surfaces upon hot-atom and Eley–Rideal recombination of H2

Published:2018 Issue:33 Volume:20 Page:21334-21344
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Galparsoro Oihana¹²³⁴⁵^ORCID,Busnengo H. Fabio⁶⁷⁸⁹¹⁰^ORCID,Martinez Alejandra E.⁶⁷⁸⁹¹⁰^ORCID,Juaristi Joseba Iñaki¹¹¹²¹³¹⁴¹⁵,Alducin Maite¹¹¹²¹³¹⁴¹⁶^ORCID,Larregaray Pascal¹²³⁴⁵

Affiliation:

1. CNRS

2. ISM

3. UMR5255

4. F-33400 Talence

5. France

6. Instituto de Física Rosario (IFIR)

7. CONICET-UNR

8. Esmeralda y Ocampo

9. 2000 Rosario

10. Argentina

11. Donostia International Physics Center (DIPC)

12. Paseo Manuel de Lardizabal 4

13. 20018 Donostia-San Sebastián

14. Spain

15. Departamento de Física de Materiales

16. Centro de Física de Materiales CFM/MPC (CSIC-UPV/EHU)

Abstract

Adiabatic and nonadiabatic quasi-classical molecular dynamics simulations are performed to investigate the role of electron–hole pair excitations in hot-atom and Eley–Rideal H₂ recombination mechanisms on H-covered W(100). The influence of the surface structure is analyzed by comparing with previous results for W(110).

Funder

Euskal Herriko Unibertsitatea

Ministerio de Economía y Competitividad

Agence Nationale de la Recherche

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP03690J

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