Related Experiment Video
Updated: Jun 24, 2026

Advanced Self-Healing Asphalt Reinforced by Graphene Structures: An Atomistic Insight
Published on: May 31, 2022
Interaction of graphene with FCC-Co(111)
J C W Swart1, E van Steen, I M Ciobícă
1Department of Chemical Engineering, University of Cape Town, Rondebosch, 7701, South Africa.
Abstract:
One of the possible catalyst deactivation mechanisms in the Fischer-Tropsch synthesis is carbon deposition in the form of a graphene overlayer. Currently no information is available on the nature of the interaction of these layers with the surface. The adsorption of graphene on the FCC-Co(111) surface was therefore studied. A chemical interaction between the graphene sheet and the cobalt surface was observed as evidenced by the partial DOS and Bader charge analysis. The adsorption energy was found to be small when normalized per carbon atom, but becoming large for extended graphene sheets. Graphene removal from the surface via lifting or sliding was considered. The energy barrier for sliding a graphene sheet is lower than the barrier for lifting, but the energy barriers become significant when placed into the context of realistic catalytic surfaces in the nanometer range.
Related Concept Videos
Lattice Centering and Coordination Number
Types of Unit Cells
Imagine taking a large number of identical...
Metallic Solids
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
Valence Bond Theory
Network Covalent Solids
To break or to melt a covalent network solid, covalent bonds must be broken. Because covalent bonds are relatively strong, covalent network solids are typically...
Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)
The extent of coupling depends on the C‑C bond length, the two H‑C‑C angles, any electron-withdrawing substituents, and the dihedral angle between the involved orbitals. The...

