A Spin-polarized DFT study of functionalized MXenes as effective anchor materials in lithium-sulfur batteries

The absorption energies of S 8 /Li 2 S n absorbed on (a) M 2 CF 2 and (b) M 2 CO 2 monolayer. The dotted and solid lines represent the absorption energy with the spin-polarized and the non-spin-polarized calculations, respectively.