2D polyaramid (2DPA) is a new porous polymer that, when decorated with titanium and zirconium, greatly enhances its hydrogen storage capabilities, making it ideal for light-duty vehicles.
Hydrogen storage levels of up to 6.422 wt % and 6.792 wt % are predicted for 2DPA + Ti and 2DPA + Zr, with specific binding energies showing strong interactions.
The stability of these decorated materials at high temperatures and their unique charge interactions suggest that Ti- and Zr-modified 2DPA could be promising candidates for hydrogen storage applications, encouraging experimental exploration.