3 papers
physics.chem-ph2019
An sp-hybridized molecular carbon allotrope, cyclo[18]carbon
Katharina Kaiser, Lorel M. Scriven, Fabian Schulz +3
Carbon allotropes built from rings of two-coordinate atoms, known as cyclo[n]carbons, have fascinated chemists for many years, but until now they could not be isolated or structura…
physics.comp-ph2019
Automated Structure Discovery in Atomic Force Microscopy
Benjamin Alldritt, Prokop Hapala, Niko Oinonena +7
Atomic force microscopy (AFM) with molecule-functionalized tips has emerged as the primary experimental technique for probing the atomic structure of organic molecules on surfaces.…
cond-mat.mtrl-sci2018
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…