Sodium storage mechanism of N, S co-doped nanoporous carbon: Experimental design and theoretical evaluation

N and S co-doped carbon with 3D nanoporous structure has been designed as anode for SIBs. It demonstrates superior sodium storage performance than mono-doped carbon. The first-principles calculation is introduced to investigate the synergistic effect of N and S co-doping at different sites in the carbon layer for sodium storage. Combining experimental design and theoretical verification, we develop a new insight to investigate the sodium storage mechanism of carbon materials.398