Study on performance and charging dynamics of N/O codoped layered porous carbons derived from L-tyrosine for supercapacitors

The development of electrode materials suitable for aqueous electrolyte and gel electrolyte can greatly promote green energy storage/conversion and contribute to carbon neutrality. Here, N/O codoped layered porous carbons (NOLPCs) are prepared from L-tyrosine by a simple method, and nanoscale NOLPC configuration is constructed by molecular dynamics (MD) simulations. The NOLPCs with layered microstructure can fully contact electrolytes, and show large specific surface area (the highest up to 3221.57 m(2) g(-1)). NOLPC-4.5 for the asymmetric supercapacitor with aqueous electrolyte displays high specific capacitance (512.21 F g(-1) at 0.3 A g(-1) and 336.43 F g(-1) at 100 A g(-1)) and excellent cyclic stability (95.40 % retention after 5000 cycles). Moreover, it for the asymmetric supercapacitor with gel electrolyte also shows high specific capacitance (285.41 F g(-1) at 0.3 A g(-1) and 192.24 F g(-1) at 50 A g(-1)) and excellent cyclic stability (94.26 % retention after 5000 cycles). The NOLPC configuration has similar microporous structure and elemental composition to the NOLPCs, and the electrolyte can adequately diffuse into its microporous structure. The NOLPCs, with simple preparation method and excellent energy storage performance, have a good development prospect in green energy storage/conversion. Using MD simulations to construct NOLPC configuration to investigate charging dynamics provides a novel idea for the application of MD simulation in supercapacitors.

Automated summary

The N/O codoped layered porous carbons exhibit a high specific surface area and excellent cyclic stability, showing great potential for application in asymmetric supercapacitors with aqueous electrolytes and gel electrolytes. The use of MD simulations to investigate the charging dynamics of these materials provides a novel approach for the application of MD simulation in supercapacitors.