Molecular dynamics shows enhanced ionic conductivity in boron and nitrogen-doped graphene electrodes, indicating improved energy storage for ionic liquid supercapacitors.
Key Points
This research examines how heteroatom doping in graphene electrodes affects energy storage properties.
Used molecular dynamics simulations to analyze electrode/electrolyte interactions.
Investigated boron and nitrogen doping in graphene electrodes coupled with ionic liquid electrolytes.
Employed the constant potential method for simulations.
Heteroatom nitrogen-doping increased ionic conductivity by 15 mS/cm compared to pristine graphene.
Boron-doped graphene achieved a double-layer capacitance of 7.75 μF/cm².
Ethanol diffusivity was enhanced by 36% with nitrogen doping.