Journal
PHYSICAL REVIEW LETTERS
Volume 112, Issue 10, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.112.103203
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Funding
- Basque Departamento de Educacion, Universidades e Investigacion
- University of the Basque Country UPV/EHU [IT-756-13]
- Spanish Ministerio de Ciencia e Innovacion [FIS2010-19609-C02-02]
- Gipuzkoako Foru Aldundia
- European Commission [FP7-PEOPLE-2010-RG276921]
- CW/NWO TOP grant
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We study the dynamics of transient hot H atoms on Pd(100) that originated from dissociative adsorption of H-2. The methodology developed here, denoted AIMDEF, consists of ab initio molecular dynamics simulations that include a friction force to account for the energy transfer to the electronic system. We find that the excitation of electron-hole pairs is the main channel for energy dissipation, which happens at a rate that is five times faster than energy transfer into Pd lattice motion. Our results show that electronic excitations may constitute the dominant dissipation channel in the relaxation of hot atoms on surfaces.
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