posted on 2024-01-29, 14:03authored byShanshan He, Leilei Li, Donghui Guo
The application of aluminum ion batteries
is limited by the cathode
material and its ability to accommodate AlCl4 clusters.
Here, we propose an AlN monolayer as cathode material to achieve reversible
intercalation of AlF4 clusters using the density function
theory calculation, improving the performance of aluminum ion batteries.
The theoretical specific capacity of the AlN monolayer to accommodate
AlF4 clusters is 144.87 mAh g–1, which
is 1.38 times higher than that of AlCl4. Compared to graphite
intercalation compounds, the 300.93% reduction in formation energy
and 26.25%–29.15% reduction in intercalant gallery height of
AlN–AlF4 intercalation compounds ensured the stability
of the charging and discharging process.