Dataset for "Direct Evidence for Solid-Like Hydrogen in a Nanoporous Carbon Hydrogen Storage Material at Supercritical Temperatures"
Experimental neutron scattering data to support the manuscript " Direct Evidence for Solid-Like Hydrogen in a Nanoporous Carbon Hydrogen Storage Material at Supercritical Temperatures" (ACS Nano, 2015). The raw data for the inelastic neutron scattering data collected on the TOSCA instrument at the ISIS neutron facility, at the Rutherford Appleton Laboratories, UK is deposited here.
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).
Cite this dataset as:
Bimbo, N.,
Ting, V.,
2015.
Dataset for "Direct Evidence for Solid-Like Hydrogen in a Nanoporous Carbon Hydrogen Storage Material at Supercritical Temperatures".
Bath: University of Bath Research Data Archive.
Available from: https://doi.org/10.15125/BATH-00114.
Export
Data
DIFF-13055-13049-TE7 … 77K-Reb.dat
text/plain (33kB)
Raw INS data on TE7 carbon under H2 pressure at 77K
DIFF-13060-13049-TE7 … 77K-Reb.dat
text/plain (32kB)
Raw INS data on TE7 carbon under H2 pressure at 77K
DIFF-13062-13049-TE7 … 77K-Reb.dat
text/plain (32kB)
Raw INS data on TE7 carbon under H2 pressure at 77K
DIFF-13065-13049-TE7 … 77K-Reb.dat
text/plain (32kB)
Raw INS data on TE7 carbon under H2 pressure at 77K
DIFF-13068-13049-TE7 … 77K-Reb.dat
text/plain (32kB)
Raw INS data on TE7 carbon under H2 pressure at 77K
DIFF-13073-13049-TE7 … 77K-Reb.dat
text/plain (31kB)
Raw INS data on TE7 carbon under H2 pressure at 77K
DIFF-13077-13049-TE7 … 77K-Reb.dat
text/plain (31kB)
Raw INS data on TE7 carbon under H2 pressure at 77K
DIFF-13062-13049-TE7 … 77K-Reb.dat
text/plain (32kB)
Raw INS data on TE7 carbon under H2 pressure at 77K
Article and supplementary info is Gold open access. Data set is openly available.
Contributors
University of Bath
Rights Holder
Coverage
Temporal coverage:
From 2012 to 2015
Geographical coverage:
UK
Documentation
Data collection method:
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).
Data processing and preparation activities:
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).
Technical details and requirements:
Normal hydrogen gas was used (Air Liquide, 99.999% purity)
Documentation Files
ACS_Nano_V … Info_submitted.docx
application/vnd.openxmlformats-officedocument.wordprocessingml.document (945kB)
Funders
Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266
SUPERGEN Hub Funding
EP/J016454/1
Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266
Integrated Safety Strategies for Onboard Hydrogen Storage Systems
EP/K021109/1
Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266
United Kingdom Sustainable Hydrogen Energy Consortium (UK-SHEC) CORE Programme
EP/E040071/1
Science and Technology Facilities Council
https://doi.org/10.13039/501100000271
Facility Time Award
RB1210041
Science and Technology Facilities Council
https://doi.org/10.13039/501100000271
Facility Time Award
RB1410602
Publication details
Publication date: 3 July 2015
by: University of Bath
Version: 1
DOI: https://doi.org/10.15125/BATH-00114
URL for this record: https://researchdata.bath.ac.uk/id/eprint/114
Related papers and books
Ting, V. P., Ramirez-Cuesta, A. J., Bimbo, N., Sharpe, J. E., Noguera-Diaz, A., Presser, V., Rudic, S., and Mays, T. J., 2015. Direct Evidence for Solid-like Hydrogen in a Nanoporous Carbon Hydrogen Storage Material at Supercritical Temperatures. ACS Nano, 9(8), 8249-8254. Available from: https://doi.org/10.1021/acsnano.5b02623.
Related online resources
Akeroyd, F., Ansell, S., Antony, S., Arnold, O., Bekasovs, A., Bilheux, J., Borreguero, J., Brown, K., Buts, A., Campbell, S., Champion, D., Chapon, L., Clarke, M., Cottrell, S., Dalgliesh, R., Dillow, D., Doucet, M., Draper, N., Fowler, R., Gigg, M. A., Granroth, G., Hagen, M., Heller, W., Hillier, A., Howells, S., Jackson, S., Kachere, D., Koennecke, M., Le Bourlot, C., Leal, R., Lynch, V., Manuel, P., Markvardsen, A., McGreevy, R., Mikkelson, D., Mikkelson, R., Miller, R., Nagella, S., Nielsen, T., Palmen, K., Parker, P. G., Pascal, M., Passos, G., Perring, T., Peterson, P. F., Pratt, F., Proffen, T., Radaelli, P., Rainey, J., Ren, S., Reuter, M., Sastry, L., Savici, A., Taylor, J., Taylor, R. J., Thomas, M., Tolchenov, R., Whitley, R., Whitty, M., Williams, S., Zhou, W., and Zikovsky, J., 2013. Mantid: Manipulation and Analysis Toolkit for Instrument Data. Mantid Project. Available from: https://doi.org/10.5286/SOFTWARE/MANTID.
Contact information
Please contact the Research Data Service in the first instance for all matters concerning this item.
Contact person: Valeska Ting
Faculty of Engineering & Design
Chemical Engineering
