17 citations · 46 across the 4 of their papers we have counts for
4 papers
Melting of hexane monolayers adsorbed on graphite: the role of domains and defect formation
C. Wexler, L. Firlej, B. Kuchta +1
We present the first large-scale molecular dynamics simulations of hexane on graphite that completely reproduces all experimental features of the melting transition. The canonical…
Cross-over mechanism of the melting transition in monolayers of alkanes adsorbed on graphite and the universality of energy scaling
L. Firlej, B. Kuchta, M. W. Roth +1
The interplay between the torsional potential energy and the scaling of the 1-4 van der Waals and Coulomb interactions determines the stiffness of flexible molecules. In molecular…
Structural and phase properties of tetracosane (C24H50) monolayers adsorbed on graphite. Explicit Hydrogen Molecular Dynamics study
L. Firlej, B. Kuchta, M. W. Roth +2
We discuss Molecular Dynamics (MD) computer simulations of tetracosane (C24H50) monolayer physisorbed onto a graphite surface. The alkane molecules are simulated with explicit hydr…
High Resolution 13C NMR study of oxygen intercalation in C60
P. Bernier, I. Luk'yanchuk, Z. Belahmer +2
Solid state high resolution NMR has been used to investigate the physical properties of pristine after intercalation with molecular oxygen. By studying the dipola…