Two iodoargentate hybrids: syntheses, crystal structures, photocurrent responses and theoretical studies

AbstractIn recent years, organic-inorganic hybrid iodoargentates have suffered extensive research attention due to their rich structures and unique optical and semiconductor properties. In this article, using 4,4'-dbbpy (4,4'-dbbpy = 4,4'-dibromo-2,2-bipyridine) and 5,5'-dbbpy (5,5'-dbbpy = 5,5'-dibromo-2,2-bipyridine) ligands as structural modifiers, two new iodoargentate hybrids, namely [Ni(4,4'-dbbpy)3]AgI3 (1) and [Ni(5,5'-dbbpy)3]Ag2I4 (2) have been successfully constructed, which are then structurally, optically and theoretically studied. Compounds 1 and 2 have optical band gaps at 2.45 and 2.56 eV, displaying visible light responding photocurrent intensities of 0.26 and 0.47 μA·cm−2, respectively. Additionally, the Hirshfeld surface analyses and density of states have also been investigated.Keywords: Crystal structureiodoargentateoptical propertytheoretical calculation Disclosure statementNo potential conflict of interest was reported by the author(s).Additional informationFundingWe sincerely express our thanks for the financial support from Natural Science Foundation of Shandong Province [ZR2019BB074, ZR2018LB001].