175 citations · 293 across the 10 of their papers we have counts for
10 papers
Wafer-Scale Single-Crystalline Monolayer Graphene
Johanna Huhtasaari, Joyal Jain Palakulam, Awse Salha +11
Producing large-area single-crystalline graphene is key to realizing its full potential in advanced applications, including twistronics. Yet, controlling graphene growth kinetics t…
A van der Waals density functional mapping of attraction in DNA dimers
Elisa Londero, Per Hyldgaard, Elsebeth Schroder
The dispersion interaction between a pair of parallel DNA double-helix structures is investigated by means of the van der Waals density functional (vdW-DF) method. Each double-heli…
Methanol adsorption on graphene
Elsebeth Schroder
The adsorption energies and orientation of methanol on graphene are determined from first-principles density functional calculations. We employ the well-tested vdW-DF method that s…
Nature and strength of bonding in a crystal of semiconducting nanotubes: van der Waals density functional calculations and analytical results
Jesper Kleis, Elsebeth Schroder, Per Hyldgaard
The dispersive interaction between nanotubes is investigated through ab initio theory calculations and in an analytical approximation. A van der Waals density functional (vdW-DF) […
Potassium intercalation in graphite: A van der Waals density-functional study
Eleni Ziambaras, Jesper Kleis, Elsebeth Schroder +1
Potassium intercalation in graphite is investigated by first-principles theory. The bonding in the potassium-graphite compound is reasonably well accounted for by traditional semil…
van der Waals interaction of parallel polymers and nanotubes
Jesper Kleis, Per Hyldgaard, Elsebeth Schroder
We study the mutual interactions of simple, parallel polymers and nanotubes, and develop a scheme to include the van der Waals interactions in the framework of density functional t…