It
has been revealed that iodine species play important roles in
atmospheric new particle formations (NPFs) in pristine coastal areas.
However, it is unclear whether other atmospheric species, such as
NH3, for which the levels in coastal areas of China are
>2.5 × 1010 molecules·cm–3 are
involved in the NPFs of iodine species, although NH3 has
been proved to promote particle formation of H2SO4. Via high-level quantum chemical calculations and atmospheric cluster
dynamic code simulations, this study unveiled new mechanisms of nucleation,
in which NH3 mediates the formation of iodine particles
by assisting hydrolysis of I2O5 or reacting
with HIO3. The simulated formation rates of iodine–ammonia
clusters via the new mechanisms are much higher than those simulated
via sequential addition of HIO3 with subsequent release
of H2O, under the condition that NH3 concentrations
are higher than 1010 molecules·cm–3. The new mechanisms can well explain the observed cluster formation
rates at a coastal site in Zhejiang of China. The findings not only
expand the current understandings of the role of NH3 in
NPFs but also highlight the importance of monitoring and evaluating
NPFs via the iodine–ammonia cluster pathway in the coastal
areas of China and other regions worldwide.