Project-I: Ternary Cs3Bi2I9 to quaternary Cs2AgBi2I9 perovskite through in-situ A-site cation engineering for broadband photodetector applications:
Our experimental collaborators have synthesized Cs2AgBi2I9 quaternary halide perovskite crystals using a hot-spin casting method, where they incorporated an Ag cation at the A-site position of Cs3Bi2I9 (which is a ternary halide perovskite with a band-gap of 2.21 eV). They find that the partial substitution of Ag at the octahedral voids results in a lower band gap (1.74 eV) in Cs2AgBi2I9. To obtain a microscopic understanding of these experimental results, we performed electronic structure calculations on both Cs3Bi2I9 and Cs2AgBi2I9 systems.
Project-II: Structural and functional characteristics of Bilayer borophene polymorphs and their electrochemical potential as anode material for Alkali- metal and alkaline earth metal ion batteries.