Using periodic DFT-D2 methods, atomistic simulations of interstellar H adsorption and H-2 formation on a (010) Fe-containing olivine surface are presented. At variance with the (010) Mg2SiO4 surface and key to these processes are the large Fe/H interaction energies, suggesting that olivine surfaces are good reservoirs of H atoms for subsequent recombination to form H-2.
Does Fe2+ in olivine-based interstellar grains play any role in the formation of H2? Atomistic insights from DFT periodic simulations
UGLIENGO, Piero;
2016-01-01
Abstract
Using periodic DFT-D2 methods, atomistic simulations of interstellar H adsorption and H-2 formation on a (010) Fe-containing olivine surface are presented. At variance with the (010) Mg2SiO4 surface and key to these processes are the large Fe/H interaction energies, suggesting that olivine surfaces are good reservoirs of H atoms for subsequent recombination to form H-2.
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