DFT and experimental study of nano red phosphorus anchoring on sulfurized polyacrylonitrile for lithium-ion battery
Sulfur atoms can reconstruct the configuration of PAN, which makes the electrons transfer more conveniently and reduces the energy barriers during the Li ions diffusion. The sulfurized polyacrylonitrile plays a crucial role in anchoring the P4 molecule and electron transport simultaneously. The uniform RP nanoparticles (~ 200 nm) are obtained through a simple liquid phase method. The SPAN-RP shows an initial reversible capacity of 1214 mA h g-1 at 0.2C, retains the capacity of 860 mA h g-1 with a high Coulombic efficiency of 99.6% after 200 cycles.