Real-time decay of fluorinated fullerene molecules on Cu(001) surface controlled by initial coverage
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Dmitry A. Muzychenko1,§(
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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.
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Real-time decay of fluorinated fullerene molecules on Cu(001) surface controlled by initial coverage
), Dmitry A. Muzychenko1,§(
),
Abstract
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.
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Acknowledgements
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.
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