2,9,16,23-Tetrakis(7-coumarinoxy-4-methyl)- metallophthalocyanines -based hole transporting material for mixed-perovskite solar cells

Abstract

2,9,16,23-Tetrakis(7-coumarinoxy-4-methyl)- phthalocyanineiron (II) (FePc-Cou) and 2,9,16,23-tetrakis(7-coumarinoxy-4-methyl)- phthalocyaninenickel (II) (NiPc-Cou) have been synthesized and applied in perovskite solar cell as hole transporting materials(HTMs). The ground state absorption, fluorescence properties and thermal properties of FePc-Cou and NiPc-Cou have been investigated at the same time. Furthermore, Density Functional Theory (DFT) calculations show that FePc-Cou and NiPc-Cou are fit for HTMs in perovskite solar cells and their LUMO and HOMO levels are favorably positioned for injecting electrons and scavenging holes. The devices based on NiPc-Cou achieve a high open-circuit voltage of 1.061V with a maximum power conversion efficiency (PCE) of 10.23% under AM1.5G standard conditions while the devices based on FePc-Cou obtained a PCE of 9.40%. Moreover,the devices present a good stability when in ambient air of 30% relative humidity.