Broadening the Space of 2D Hybrid Perovskites

We are currently investigating new classes of 2D hybrid organic-inorganic perovskites in order to broaden the range of optical and electronic properties of these promising materials. This combines band structure calculations at a high level of theory (hybrid density functional theory including spin-orbit coupling) for crystalline materials with very large unit cells - hundreds of atoms - and direct experimental validation by structural and optical spectroscopic validation.