Benchmarking van der Waals-treated DFT: The case of hexagonal boron nitride and graphene on Ir(111)

Fabian Schulz, Peter Liljeroth, Ari Paavo Seitsonen

There is enormous recent interest in weak, van der Waals-type (vdW) interactions due to their fundamental relevance for two-dimensional materials and the so-called vdW heterostruct…