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Title: Multilayer graphane synthesized under high hydrogen pressure

A new hydrocarbon – hydrographite – with the composition close to CH is shown to form from graphite and gaseous hydrogen at pressures above 2 GPa and temperatures from 450 to 700 °C. Hydrographite is a black solid thermally stable under ambient conditions. When heated in vacuum, it decomposes into graphite and molecular hydrogen at temperatures from 500 to 650 °C. Powder X-ray diffraction characterizes hydrographite as a multilayer “graphane II” phase predicted by ab initio calculations [Wen X-D et al. PNAS 2011; 108:6833] and consisting of graphane sheets in the chair conformation stacked along the hexagonal c axis in the -ABAB- sequence. The crystal structure of the synthesized phase belongs to the P63mc space group. Moreover, the unit cell parameters are a = 2.53(1) Å and c = 9.54(1) Å and therefore exceed the corresponding parameters of graphite by 2.4(2)% and 42.0(3)%. Stretching vibrations of C–H groups on the surface of the hydrographite particles are examined by infrared spectroscopy.
 [1] ;  [1] ;  [1] ;  [2] ;  [1] ;  [1] ;  [3] ;  [1] ;  [4] ;  [1] ;  [1] ;  [5]
  1. Inst. of Solid State Physics, Moscow District (Russia)
  2. Moscow State Univ., Moscow (Russian Federation)
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  4. Inst. of Problems of Chemical Physics RAS, Moscow District (Russia)
  5. National Univ. of Science and Technology, Moscow (Russia)
Publication Date:
OSTI Identifier:
Grant/Contract Number:
AC05-00OR22725; 11-02-00401
Accepted Manuscript
Journal Name:
Additional Journal Information:
Journal Volume: 100; Journal Issue: C; Journal ID: ISSN 0008-6223
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States