The influence of copper on the optical band gap of heterometallic iodido antimonates and bismuthates

Abstract

-tol). The compounds' crystal structures, stability and optical properties are investigated and compared to the findings of quantum chemical investigations. The main excitation is shown to be a copper to antimony or copper to bismuth charge transfer while the relative energetic position of the organic ligand orbitals influences the magnitude of the band gap. This reveals that the nature of the ligands and the coordination environment at the copper atom is crucial for designing new copper iodido antimonates and bismuthates with specific band gaps.

Topics & Concepts