This suggests the formation of polar covalent bonds between these oxygen atoms and the highly electropositive sodium atoms at the electrode surface, giving rise to robust interactions between the electrode surface and the adsorbed anions. These interactions could play a pivotal role in promoting a stable SEI, a key factor in mitigating water decomposition on the electrode surface (see section 4.3 for more details). In the next step, we investigate the decomposition behavior of the triflate anion during the adsorption process. It is important to note that our analysis will now focus exclusively on graphite and the bcc (100) sodium surface. This decision is based on the observation that both the examined sodium surface models yield almost similar outcomes concerning the adsorption complex, with the bcc (100) lattice showing a higher adsorption energy. Our investigation considers potential decomposition products resulting from the breaking of the S-C bond (Fig. ), a single S-O bond (Fig. ), or a single C-F bond (Fig. ), as the initial decomposition reactions (see section 2 for technical details). Additionally, we explore scenarios involving breaking of multiple bonds, resulting in the decomposition of the anion into smaller products or its constituent atoms (see Fig. ). The positive reaction energies obtained on the graphite surface (∆𝐸 ",- 536 = 2.46 𝑒𝑉, ∆𝐸 ",- 537 = 3.13 𝑒𝑉, ∆𝐸 ",- 638 = 2.64 𝑒𝑉) suggest that anion decomposition on this surface is not feasible, highlighting the inert nature of graphite. In contrast, during the adsorption process on the sodium metal surface, all considered decomposition scenarios are energetically favorable, as indicated by their negative reaction energies (Fig. ). In this case, the breaking of the C-F bond exhibits the greatest energetic favorability as an initial decomposition reaction (Fig. ), followed by the breaking of the C-S (b) hcp Na(0001) (c) bcc Na(100) (a) graphite bond (Fig. ). The stability of the adsorption complex further increases with the simultaneous breaking of both the C-F and C-S bonds, yielding CF2 and SO3 products, as well as an individual fluorine atom that may closely associate with the sodium cation to form NaF (Fig. ). Subsequent decomposition of these products into atomic constituents provides the most stable adsorption structures, as illustrated in Fig. , panels g and h.