Abstract
Inelastic neutron scattering (INS) spectroscopy can measure the vibrational spectra of materials on the whole range of vibrational motions (0–4400 cm-1) and effectively open up the field of neutron spectroscopy. Unlike optical spectroscopy, INS is a technique mainly used to study hydrogen-containing materials due to the high cross section of hydrogen and the lack of selection rules. The VISION spectrometer at the SNS in Oak Ridge National Laboratory has a flux at low energy transfers up to 40 times over its predecessors and has unprecedented sensitivity. Neutrons penetrate easily through materials, metals in particular, making complex sample environments and gas dosing relatively easy. Comparison of the INS spectra with computer models is rigorous and necessary to interpret INS data. This paper presents examples of the technique’s unique capabilities for studying metal hydrides and molecular hydrogen in confinement. Graphical abstract: (Figure presented.)
| Original language | English |
|---|---|
| Pages (from-to) | 727-736 |
| Number of pages | 10 |
| Journal | Journal of Materials Research |
| Volume | 39 |
| Issue number | 5 |
| DOIs | |
| State | Published - Mar 14 2024 |
Funding
This research benefited from the use of the VISION beamline (IPTS-16527, IPTS-27062) at the Spallation Neutron Source, Oak Ridge National Laboratory (ORNL), which is supported by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy (DOE). The computing and software resources were made available through the VirtuES and the ICEMAN projects, funded by the Laboratory Directed Research and Development program (LDRDs 7739, 8237, 10447) and Compute and Data Environment for Science (CADES). This research used resources of the Oak Ridge Leadership Computing Facility at the ORNL, which is supported by the Office of Science of the DOE under Contract DE-AC05-00OR22725. Authors gratefully acknowledge research support from the Hydrogen Materials - Advanced Research Consortium (HyMARC), established as part of the Energy Materials Network under the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Hydrogen and Fuel Cell Technology Office, under Contract Number DE-AC05-00OR22725. This manuscript has been authored in part by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript or allow others to do so, for US government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (“ http://energy.gov/downloads/doe-public-access-plan ”).
| Funders | Funder number |
|---|---|
| Compute and Data Environment for Science | |
| Hydrogen Materials - Advanced Research Consortium | |
| Office of Energy Efficiency and Renewable Energy, Hydrogen and Fuel Cell Technology Office | |
| Scientific User Facilities Division | |
| U.S. Department of Energy | |
| Office of Science | DE-AC05-00OR22725 |
| Basic Energy Sciences | |
| Oak Ridge National Laboratory | |
| Laboratory Directed Research and Development | 10447 |
Keywords
- Clathrates
- Hydrides
- Hydrogen
- Neutron
- Spectroscopy
- Zeolites