The calculations helped the research of Graz University of Technology to develop of hexagonal boron nitride , one of the most exciting 2D materials. It has a honeycomb crystal structure that is most similar to that of graphene, the most popular 2D material.
The outcomes achieved by Graz’s group show that other 2D surface structures can be separated before h-BN is formed. We proved that the combination of experiments and quantum chemical calculations can provide new and important insight into the growth of 2D materials. We are already planning to employ our method for studying the growth of other 2D materials, and we are working with international collaborators to find ways to accelerate the development of these promising materials.
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