A new metal complex-templated silver iodobismuthate exhibiting photocurrent response and photocatalytic property

An organic-inorganic hybrid silver iodobismuthate characteristic of the infrequent [Ag₂BiI₆L₂] cluster (L = I or I₃) and with a unique Ag/Bi molar ratio (2/1), namely, [Zn(bipy)₃]₂Ag₂BiI₆(I)_1.355(I₃)_1.645 (bipy = 2,2'-bipyridine; 1), was solvothermally synthesized, and structurally, optically, and theoretically studied. Intriguingly, compound 1 exhibited semiconductor behavior with an optical band gap of 2.33 eV, which endowed it with excellent photoelectric and photocatalytic properties. Electronic structure calculations further revealed that the relative separate conduction band (CB) and valence band (VB) in compound 1 may be responsible for the good optical activity. This study also includes the Hirshfeld surface analyses, thermogravimetric measurements and X-ray photoelectron spectroscopy (XPS) characterization.