284 citations · 589 across the 10 of their papers we have counts for
3 papers · 1 filter
Li intercalation in graphite: a van der Waals density-functional study
E. Hazrati, G. A. de Wijs, G. Brocks
Modeling layered intercalation compounds from first principles poses a problem, as many of their properties are determined by a subtle balance between van der Waals interactions an…
Phonons and electron-phonon coupling in graphene-h-BN heterostructures
Guus J. Slotman, Gilles A. de Wijs, Annalisa Fasolino +1
First principle calculations of the phonons of graphene-BN heterostructures are presented and compared to those of the constituents. We show that AA and AB' stacking are not only e…
Interactions of adsorbed CO on water ice at low temperatures
L. J. Karssemeijer, G. A. de Wijs, H. M. Cuppen
We present a computational study into the adsorption properties of CO on amorphous and crystalline water surfaces under astrophysically relevant conditions. Water and carbon di…