It recently became known that 2D materials can be synthesized not only on a carbon basis (graphene) but also on the basis of metal oxides such as ilmenite or chromite. A German-American research team led by the Helmholtz-Zentrum Dresden-Rossendorf (HZDR) has now succeeded in predicting 28 representatives of this new class of materials using data-based methods.
They do not form weak interactions in their crystal structure, but stronger ionic bonds pointing in all directions. For this reason, they are difficult to separate from three-dimensional blocks of material.
Theoretical data-based methods can be used to predict which compounds are worthwhile for experimental research. A decisive factor here is the determination of the exfoliation energy: it defines how much energy must be expended to detach a 2D layer from the surface of a material. The study provided the researchers with information on the chemical composition as well as magnetic, electronic and topological properties. Applications can be seen, for example, for data storage in computers or smartphones.
