Defect engineering in UiO-66: How linker defects affect the electronic structure.

Metal-Organic Frameworks (MOFs) are hybrid materials that combine both organic and inorganic building blocks. Their electronic properties are strongly dependent on structural effects, which allow tuning for a wide range of applications. One example is the widely investigated UiO-66. In its synthesized form, the material contains missing linkers, so we aim to study their influenced on the electronic structure. Periodic density functional theory calculations will be performed to elucidate the equilibrium structure and density of sate of these materials.