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In this study, the evolution of C60F18 molecules on a Cu(001) surface was studied by means of scanning tunneling microscopy and density functional theory calculations. The results showed that fluorinated fullerenes (tortoise-shaped polar C60F18) decay on Cu(001) surfaces by a step-by-step detachment of F atoms from the C60 cage. The most favorable adsorption configuration was realized when the F atoms of C60F18 pointed towards the Cu surface and six F atoms were detached from it. The results also showed that a further decay of C60F12 molecules strongly depended on the initial C60F18 coverage. The detached F atoms initially formed a two-dimensional (2D) gas phase which then slowly transformed into F-induced surface structures. The degree of contact between the C60F12 molecules and the Cu(001) surface depended on the density of the 2D gas phase. Hence, the life-time of fluorinated fullerenes was determined by the density of the 2D gas phase, which was affected by the formation of new F-induced structures and the decay of C60F12 molecules.
We thank Prof. L. N. Sidorov for providing us with C60F18 fullerenes. The research has been supported by the Russian Foundation for Basic Research (RFBR) grants (Nos. 16-02-00818-a and 14-02-97022R- Povolzhye-a) and by the computing facilities of the Lomonosov Moscow State University, Research Computing Center. DFT calculations were performed at CSIR-CECRI and SNU facilities. V. K. thanks the Shiv Nadar University High performance computer center Magus.