Bulk and interfacial decomposition of formamidinium iodide (HC(NH2)2I) in contact with metal oxide†
The thermal stability and decomposition pathway of formamidinium iodide (FAI, HC(NH2)2I) in contact with NiO and TiO2 are investigated by combined experimental studies and density functional theory (DFT) calculations. Based on the decomposition temperature, we find that the stability decreases as FAI ∼ FAI + TiO2 > FAI + NiO. Moreover, FAPbI3 in contact with NiO and TiO2 shows similar thermal stability behaviour to FAI. The bulk decomposition of FAI occurs via the formation of sym-triazine, and can also produce HCN, and NH4I at ∼280 °C, which further decomposes to NH3 and HI above 300 °C. When FAI comes into contact with NiO, the interfacial reaction triggers decomposition at a much lower temperature (∼200 °C), resulting in the formation of NiI2 as the solid product while releasing NH3 and H2O into the gas phase; sym-triazine and HCN are observed near the FAI bulk decomposition temperature. In contrast, when FAI comes into contact with TiO2, the decomposition temperature is similar to bulk FAI; however, HCN is released at a lower temperature (∼260 °C) compared to sym-triazine. The difference in the degradation behavior of FAI with NiO and TiO2 is elucidated using DFT calculations. Our results show that the interfacial reaction between the organic component of perovskite material and NiO occurs similarly for MA and FA, which thereby can induce device instability.