1.2k citations · 1.4k across the 3 of their papers we have counts for
3 papers
Are we van der Waals ready?
T. Björkman, A. Gulans, A. V. Krasheninnikov +1
We apply a range of density-functional-theory-based methods capable of describing van der Waals interactions to weakly bonded layered solids in order to investigate their accuracy…
Van der Waals bonding in layered compounds from advanced first-principles calculations
T. Björkman, A. Gulans, A. V. Krasheninnikov +1
Although the precise microscopic knowledge of van der Waals interactions is crucial for understanding bonding in weakly bonded layered compounds, very little quantitative informati…
Sub-monolayers of carbon on alpha-iron facets: an ab-initio study
S. Riikonen, A. V. Krasheninnikov, R. M. Nieminen
Motivated by recent in situ studies of carbon nanotube growth from large transition-metal nanoparticles, we study various alpha-iron (ferrite) facets at different carbon concentrat…