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- W1993138667 abstract "The study of the reflection of N atoms on a Ag(111) surface is performed by means of classical molecular dynamics and using an accurate three-dimensional potential energy surface, built from density functional theory calculations. The influence of energy loss channels is analyzed by including phonon and electron–hole pair excitations in the simulations. Our calculations show good agreement with recent experimental results. The broadness of the experimental angular distributions is due to the corrugation of the potential energy surface and is well reproduced by our model. Regarding the energy loss distributions, we show that the simulation of an effusive beam coupled to phonon excitations is required to obtain satisfactory results. This is due to dynamic effects that make the reflection process very dependent on the initial energy of N atoms." @default.
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- W1993138667 date "2013-05-03" @default.
- W1993138667 modified "2023-10-08" @default.
- W1993138667 title "Scattering of Nitrogen Atoms off Ag(111) Surfaces: A Theoretical Study" @default.
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- W1993138667 doi "https://doi.org/10.1021/jp312667w" @default.
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