Unveiling the Advances of 2D Materials for Li/Na-S Batteries Experimentally and Theoretically

Metal-sulfur batteries hold practical promise for next-generation batteries because of high energy density and low cost. Development is impeded at present, however, because of unsatisfied discharge capacity and stability in long cycling. Combination of experimental and theoretical approaches can be used to develop insight into the relationship between electrochemical behavior of sulfur redox and metal stripping-plating and the structural properties of electrode materials. With metal-sulfur batteries, two-dimensional (2D) nanomaterials are a suitable model with which to connect and test experimental results with theoretical predictions and to explore structure-property relationships. Here, through the view of combining experimental and theoretical approaches, we explore sulfur redox conversion on 2D nanomaterials in various reaction stages and critically review crucial factors affecting 2D nanomaterials as artificial solid electrolyte interfaces (SEIs) and host materials in protecting Li and Na metal anodes. We conclude with a focused discussion on promising research orientations for developing high-performance metal-sulfur batteries.