Journal
PHYSICAL REVIEW LETTERS
Volume 108, Issue 9, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.108.096101
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Funding
- Basque Departamento de Educacion, Universidades e Investigacion
- University of the Basque Country UPV/EHU [IT-366-07]
- Spanish Ministerio de Ciencia e Innovacion [FIS2010-19609-C02-02]
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We investigate the role played by electron-hole pair and phonon excitations in the interaction of reactive gas molecules and atoms with metal surfaces. We present a theoretical framework that allows us to evaluate within a full-dimensional dynamics the combined contribution of both excitation mechanisms while the gas particle-surface interaction is described by an ab initio potential energy surface. The model is applied to study energy dissipation in the scattering of N-2 on W(110) and N on Ag(111). Our results show that phonon excitation is the dominant energy loss channel, whereas electron-hole pair excitations represent a minor contribution. We substantiate that, even when the energy dissipated is quantitatively significant, important aspects of the scattering dynamics are well captured by the adiabatic approximation.
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