Dataset for "Direct Evidence for Solid-Like Hydrogen in a Nanoporous Carbon Hydrogen Storage Material at Supercritical Temperatures"

Dataset for Direct Evidence for Solid-Like Hydrogen in a Nanoporous Carbon Hydrogen Storage Material at Supercritical Temperatures journal paper. The data set includes inelastic neutron scattering data raw data files (.dat) collected on the TOSCA instrument at the ISIS neutron facility, at the Rutherford Appleton Laboratories, UK at the following hydrogen pressures (at 77 K) for activated carbon TE7: 0.016 MPa H2 at 77 K 0.074 MPa H2 at 77 K 0.168 MPa H2 at 77 K 0.300 MPa H2 at 77 K 0.630 MPa H2 at 77 K 0.998 MPa H2 at 77 K 2.071 MPa H2 at 77 K 3.500 MPa H2 at 77 K This data pertains to Figs 1, 2 and 3 in the paper " Direct Evidence for Solid-Like Hydrogen in a Nanoporous Carbon Hydrogen Storage Material at Supercritical Temperatures" (ACS Nano, 2015). The integrated intensities under the peaks were calculated from the raw data over the following ranges: - The total inelastic signal (integrated intensity from 2 to 500 meV). - Integrated intensity under the elastic peak from -2 meV to 2 meV. - Integrated intensity under the 14.7 meV rotor line fit using a Gaussian peak shape The data processing and peak integration was performed using the Mantid software (available from http://www.mantidproject.org).The INS spectra were collected on a ∼10 g sample of carbon was degassed 623 K for 8 h under high vacuum (0.1 mPa), then loaded in an Ar glovebox into a high pressure (7 MPa) stainless steel sample can on the TOSCA inelastic neutron scattering beamline at the Rutherford Appleton laboratories in the UK. Hydrogen was dosed into the sample and equilibrated at 77 K before the pressure was recorded. Data were accumulated for 700 μA h, with up to three spectra being collected at each pressure over collection periods of 8- 12 h (pressures = 0.016, 0.070, 0.160, 0.301, 0.630, 0.998, 2.070, and 3.500 MPa).The data were corrected for the presence of terminal H atoms in the carbon by subtraction of 12 h background scans of the degassed sample at 77 K. The data processing and peak integration was performed using the Mantid software (available from http://www.mantidproject.org).Normal hydrogen gas was used (Air Liquide, 99.999% purity