Experimental and computational investigation of Cu–N coordination bond strengthened polyaniline for stable energy storage

摘要: Cu–N coordination bond strengthened polyaniline (PANI-Cu) grown on carbon paper is designed to improve capacitive performance of conductive polymer supercapacitor. The cross-linking porous PANI-Cu nanofibers are synthesized via electro-polymerization and hydrothermal process. strengthens interaction PANI molecular chain, contributing improving its cycling stability. Copper cation with high redox potential promotes the conversion from benzene ring quinone PANI, electroactivity. In comparison presents specific capacitance increasing 350 825 F g−1 at 1 A g−1, rate retention 78 84% a raising current density 1–10 61 91% 5 for 1000 cycles, recovery 84.0 96.7% recovering 10–1 g−1. simulation calculation reveals that has higher state (4.70 eV) Fermi energy level, lower proton doping (− 5.56 eV) molecule orbital gap (0.43 eV) than (3.50 eV, − 2.41 eV, 0.91 eV). computational results conductivity agree electrochemical measurement response capacitance, proving superior electroactivity PANI-Cu. Flexible supercapacitor exhibits an 62.1 Wh kg−1 power 900 W kg−1 capacity 87% presenting stable storage application.