A favorable catalytic root for the reduction reaction of SOCl₂ from the constructed CoPc/CuPc composite

Abstract CoPc, as a catalyst for lithium thionyl chloride (Li/SOCl 2 ) battery, is generally recognized as having catalytic activity, and its catalytic activity can be further improved by compounding it on some substrates. In this paper, CoPc/CuPc with smaller particle size was synthesized by two-step method. It was found that when the product was constructed, not only a loose film could be formed on the surface of carbon cathode, but also a large number of holes could be formed inside it. In addition, the adsorption of SOCl 2 by CoPc and CuPc and the surface electrostatic charge distribution was studied by the first-principles density functional theory calculations (DFT). Compared with the bare, the voltage of the battery using the CoPc/CuPc composites as catalyst increased by 0.25 V, and the discharge time was prolonged by 12 min. Observing the morphology after discharge, it can be found that there are many particles around 200 nm on the surface and a large number of particles around 50 nm inside.