Insight into the structure-capacity relationship in biomass derived carbon for high-performance sodium-ion batteries

Abstract Carbonaceous materials are the most promising candidates as the anode for sodium-ion batteries (SIBs), however, they still suffer from low electric conductivity and sluggish sodium ion (Na+) reaction kinetics. Appropriate composition modulation using heteroatoms doping and structure optimization is highly desired. A basic empirical understanding of the structure-capacity relationship is also urgent in tackling the above problems. Herein, multi-functional nitrogen (N) doped carbon micro-rods with enlarged interlayer spacing are synthesized and investigated as the anode in SIBs, showing an ultra-stable capacity of 161.5 mAh g−1 at 2 A g−1 for over 5000 cycles. Experimental investigations and first-principle calculations indicate that the enlarged interlayer spacing can facilitate Na+ intercalation and N doping can guarantee the high electric conductivity and favorable electrochemical active sites. Additionally, pyridinic N is theoretically proved to be more effective to enhance Na+ adsorption than pyrrolic N due to the lower adsorption energy and stronger binding energy with Na+. Full SIBs show a high capacity and cyclability, making the biomass-derived carbon micro-rods to be a promising anode for practical SIBs applications.