Interaction of graphene with FCC–Co(111)

Literature Information

Publication Date 2008-12-05
DOI 10.1039/B814664K
Impact Factor 3.676
Authors

J. C. W. Swart, E. van Steen, I. M. Ciobícă, R. A. van Santen


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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.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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