We employed periodic density functional theory (DFT) calculations as implemented in the Vienna ab initio simulation package (VASP 5.4) to study the interactions and possible reactions of a BMP-TFSI monolayer with Li atoms at the graphite (0001) surface. The revised Perdew-Burke-Ernzerhof functional (RPBE) was used to describe the electronic exchange and correlation effects. Additionally, semiempirical dispersion corrections (D3) were taken into account. Ionic cores were represented by the projected augmented wave method (PAW). The electronic wave functions were expanded in a plane wave basis set, employing an energy cutoff of 520 eV. The electronic structure was converged within 10 -6 eV.