Hydrogen abstraction from metal surfaces: When electron-hole pair excitations strongly affect hot-atom recombination
8 February 2024
Joseba Iñaki Juaristi,
Non-adiabatic e-h excitations reduce hot H atom lifetime on W(110)
Greatly affects hot atom H2 recombination at low coverage
Less influence at high coverage due to H atom screening
Predicts H supersaturation of W(110) surface at 1 ML coverage
Conceptual cover art depicts e-h excitation reducing H atom lifetime
Electron-hole excitations reduce hot hydrogen atom lifetime on tungsten
This study uses simulations to show that including non-adiabatic electronic excitations significantly reduces the lifetime of energetic (hot) hydrogen atoms scattering on a tungsten surface at low coverage. This affects the hot atom recombination mechanism thought to drive hydrogen molecule formation on metals.
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