Two-dimensional (2D) nanoporous membranes
have attracted great
interest in water desalination, energy conversion, electrode, and
gas separation. The performances of these membranes are mainly determined
by the nanopores, and only with satisfactory subnanometer pores can
applications such as high-precision ion separation be realized. Therefore,
to efficiently create subnanopores in 2D materials is of great importance.
Here, using molecular dynamics simulations, we demonstrate that the
direct irradiation of energetic ion is capable of introducing subnanopores
in monolayer graphene. By changing the energy of the incident Au ion,
the averaged pore diameter can be adjusted from 4.2 to 5.6 Å,
and pore diameter distributions are narrow. In the formation processes
of the subnanopores, the cascade collisions caused by the primary
knock-on atom (PKA) predominates, and pores can only be created in
ion impact positions close to the PKA, especially for the incident
ion with high energy. Our results show the promise of ion irradiation
as a facile method to fabricate subnanopores in 2D materials. As hydrated
ions, gases, and small organic molecules have diameters of several
angstroms, close to the pore sizes, the created nanoporous membranes
can be used to separate those matter, which is conducive to accelerating
related applications.