Structure and spectroscopy of graphite monofluoride
The structure of graphite monofluoride, (CF) n , has been debated since its discovery in 1934. In this work, we investigate a commercial graphite monofluoride by vibrational spectroscopy (infrared, Raman and the first inelastic neutron scattering spectra of this material). The spectroscopy shows that the material contains unreacted graphite and partially fluorinated product dicarbon fluoride, (C 2 F) n , We evaluate the previously proposed and structures using computational methods and find F···F contacts render the structure dynamically unstable. We propose two alternative structures, and , generated by displacement of one layer relative to another and find that is also dynamically unstable. The calculations are validated by comparison of calculated and observed INS spectra
Authors
- Daniel M. Dawson (ORCID: https://orcid.org/0000-0002-8110-4535)
- Anibal Javier Ramirez-Cuesta (ORCID: https://orcid.org/0000-0003-1231-0068)
- Stewart F. Parker (ORCID: https://orcid.org/0000-0002-3228-2570)
- Yongqiang Q. Cheng (ORCID: https://orcid.org/0000-0002-3263-4812)
- Valeri Leich
- А. И. Колесников (ORCID: https://orcid.org/0000-0003-1940-4649)
- Daniel W. Nye (ORCID: https://orcid.org/0009-0006-0482-691X)
- James D. Taylor
- M. B. Stone (ORCID: https://orcid.org/0000-0001-7884-9715)
- K. Morton
- A. Dominic Fortes (ORCID: https://orcid.org/0000-0001-5907-2285)
- Victor Fanelli (ORCID: https://orcid.org/0000-0002-8496-2244)
- P. Albers (ORCID: https://orcid.org/0000-0001-9564-1713)
- Luke L. Daemen
Institutions
- Rutherford Appleton Laboratory (GB)
- Oak Ridge National Laboratory (US)
- University of St Andrews (GB)
- Evonik (Germany) (DE)
Publication Details
- Journal
- Carbon
- Published
- 2025-09-30
- DOI
- https://doi.org/10.1016/j.carbon.2025.120900
- Primary Topic
- Inorganic Fluorides and Related Compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00