Fluorinated- and non-fluorinated-diarylamine-Zn(ii) and Cu(ii) phthalocyanines as symmetrical vs. asymmetrical hole selective materials

Four symmetrically substituted and four asymmetrically substituted fluorinated and non-fluorinated-diarylamine CuPcs and ZnPcs have been designed and utilized as hole transporting materials in perovskite solar cells in a planar n-i-p structure. We established the correlation between the electronic structure, charge mobility parameters, core metal, and substituents in metal phthalocyanines. The fluorinated asymmetrically substituted undoped ZnPc-6 yielded the best power conversion efficiency of 15.40% with an open-circuit voltage (V-oc) of 1016.1 mV, a short-circuit current density (J(sc)) of 21.27 mA cm(-2), and a fill factor (FF) of 71.25%, followed by the non-fluorinated asymmetrically substituted ZnPc-5 with 14.36%. In the case of symmetrical CuPcs, the best performance was measured using non-fluorinated CuPc-3 and fluorinated CuPc-4 gave 11.53% and 10.90% of PCEs, respectively. Importantly, the devices with MPcs showed improved stability under multi-stress conditions.

Automated summary

Four symmetrically substituted and four asymmetrically substituted fluorinated and non-fluorinated-diarylamine CuPcs and ZnPcs were used as hole transporting materials in perovskite solar cells. The correlation between electronic structure, charge mobility parameters, core metal, and substituents in metal phthalocyanines was established. The best power conversion efficiency of 15.40% was achieved by the fluorinated asymmetrically substituted undoped ZnPc-6.