85 citations · 109 across the 4 of their papers we have counts for
4 papers
Interaction between pentacene molecules and monolayer transition metal dichalcogenides
E. Black, P. Kratzer, J. M. Morbec
Using first-principles calculations based on density-functional theory, we investigated the adsorption of pentacene molecules on monolayer two-dimensional transition metal dichalco…
Detection of adsorbed transition-metal porphyrins by spin-dependent conductance of graphene nanoribbon
P. Kratzer, Sherif Abdulkader Tawfik, X. Y. Cui +1
Electronic transport in a zig-zag-edge graphene nanoribbon (GNR) and its modification by adsorbed transition metal porphyrins is studied by means of density functional theory calcu…
Influence of the substrate lattice structure on the formation of Quantum Well States in thin In and Pb films on silicon
J H Dil, B Huelsen, T U Kampen +2
The substrate lattice structure may have a considerable influence on the formation of quantum well states in a metal overlayer material. Here we study three model systems using ang…
A direct pathway for sticking/desorption of H on Si(100)
P. Kratzer, B. Hammer, J. K. Norskov
The energetics of H interacting with the Si(100) surface is studied by means of {\em ab initio} total energy calculations within the framework of density functional theory. We…