Influence of interaction between organic cation and inorganic unit in bi-based hybrid perovskites for photoelectronic properties

With the increase of the passion on lead-free perovskites, more and more endeavor focused on halobismuthates. Here, we have introduced the p-iodoaniline and p-phenylenediamine into Bi-based hybrid materials, and two photoactive iodobismuthate named p-phenylenediamine iodobismuthate (PDABI) and p-iodoaniline iodobismuthate (PIDBI) were prepared. Their single structures, band gaps, thermostability and other properties were explored. The structure results revealed that they all have 1D BiI(4)(-) anion chains with edge-shared BiI(6) octahedron. The DFT result revealed that PIDBI had an inherent interaction between the I substituent in p-iodoaniline cation and the Bi atom in inorganic BiI(4)(-) anion chains. The photodetector assembled by PDABI and PIDBI revealed that the interaction provided by symmetric p-phenylenediamine has a positive effect on PIDBI's optoelectronic properties compared to the role of asymmetric p-iodoaniline in PDABI.