NH_3 adsorption and competition with H_2O on a hydroxylated aluminosilicate surface
arxiv(2024)
摘要
The interaction between ammonia (NH_3) and (alumino)silicates is of
fundamental and applied importance, yet the specifics of NH_3 adsorption on
silicate surfaces remain largely unexplored, mainly because of experimental
challenges related to their electrically insulating nature. An example of this
knowledge gap is evident in the context of ice nucleation on silicate dust,
wherein the role of NH_3 for ice nucleation remains debated. This study
explores the fundamentals of the interaction between NH_3 and microcline
feldspar (KAlSi_3O_8), a common aluminosilicate with outstanding ice
nucleation abilities. Atomically resolved non-contact atomic force microscopy,
x-ray photoelectron spectroscopy, and density functional theory-based
calculations elucidate the adsorption geometry of NH_3 on the lowest-energy
surface of microcline, the (001) facet, and its interplay with surface
hydroxyls and molecular water. NH_3 and H_2O are found to adsorb
molecularly in the same adsorption sites, creating H-bonds with the proximate
surface silanol (Si-OH) and aluminol (Al-OH) groups. Despite the closely
matched adsorption energies of the two molecules, NH_3 readily yields to
replacement by H_2O, challenging the notion that ice nucleation on microcline
proceeds via the creation of an ordered H_2O layer atop pre-adsorbed NH_3
molecules.
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