Nitrous Acid (HONO) Dissociation on the Water and Ice Surface: An Ab Initio Molecular Dynamics Study

In the atmosphere, the photodissociation of HONO is a significant source of OH radicals after ozone. In the present study, using Born–Oppenheimer molecular dynamics, we showed that HONO can dissociate on ice and water surfaces without light. In addition, the dissociation time of HONO is found to be much less on the ice surface compared to the same time on the water droplets.