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J. Phys. Energy 3 (2021) 031503 N Tapia-Ruiz et al Figure 19. Structure of the anions currently used in sodium-ion batteries. Sodium is the cation in all cases. electrolytes often focussed on the conduction mechanism, with little investigation into how the bulk ions themselves interacted. However, with advances in modern computer power, more recent studies have now started to quantitatively address the role of ion pairs, although currently, the high-level theory is too demanding for this to be a feasible method for the fast screening of electrolytes. In addition, computational methods can assist in better understanding the mechanism of SEI formation, where calculations have indicated that sodium electrolytes have faster desolvation of the cation at the electrolyte/electrode interface than that of Li+ in analogous systems. DFT may also be used to simulate spectra (such as IR and Raman) of the degradation products in the SEI to aid the identification of the species present [172]. In addition to computational developments, there have been spectroscopic advances which may be utilised to address the challenges described above. Modern advances in dynamic nuclear polarisation-enhanced NMR spectroscopy (DNP-NMR) have recently been used as a method to aid characterisation of the SEI in LIBs. By using lithium metal as the polarisation source, selective observation of the low-concentration SEI components was possible. An intimate knowledge of the SEI composition and distribution is crucial in understanding how dendrites form, and is critical for preventing short circuits and improving the overall safety of the battery. A major advantage of this technique is that it allows for the direct probing of interfaces to reveal structural information, and it can be envisioned that this DNP-NMR spectroscopy technique can readily be applied to NIBs to provide further insights into SEI formation and composition [173]. While there have been several investigations into the structure of the SEI for NIBs, more work is necessary to understand the interplay between electrolyte chemistry, SEI composition, and stability. Concluding remarks In contrast to LIBs, which are a mature technology, much work is still required to unleash the full potential of NIBs. Electrolytes play a key role, as unwanted side reactions and degradation products significantly affect the overall performance and lifetime of the battery. The current range of sodium electrolytes has significant drawbacks, such as oxidising potential, moisture sensitivity, cost, and toxicity, meaning there is an urgent need to develop novel electrolytes to overcome these shortcomings. With increased research into, and development of, novel electrolytes, these challenges can be addressed, and this roadmap highlights key areas where focus should be applied. Principally, this is in characterising the degraded salts in the SEI as well as producing electrolytes which can easily be chemically modified to tune their fundamental properties. With this increased focus, NIBs undoubtedly have a prosperous future, rivaling that of their lithium counterparts. Acknowledgment This research is funded by the Faraday Institution (Grant No. FIRG018). 40PDF Image | 2021 roadmap for sodium-ion batteries
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