Ionization of nitric acid in ice surface defects

DIPC Seminars

Sampsa Riikonen, Lab. of Physical Chemistry, Dep. of Chemistry, University of Helsinki, Finland
Donostia International Physics Center (DIPC). Paseo Manuel de Lardizabal, 4 (nearby the Facultad de Quimica), Donostia
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Ionization of nitric acid in ice surface defects Ionization of nitric acid on a "rough" model ice surface is studied using ab-initio molecular dynamics. Our ice model surface consists of the ideal ice basal plane with locally optimized and annealed defects. At the defect sites, nitric acid ionization is possible in pico- and sub-picosecond timescales. A key feature is the efficient solvation of the nitrate ion, by using the dangling hydrogen bonds available on the basal plane and at the defect, while proton-relay (Grotthuss migration) into surface Eigen-ion position is facilitated at the defect sites.