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In situ neutron study of hydride chemistry at high pressures

Reference number
SNP21-0002
Project leader
Barros Brant Carvalho, Paulo Henrique
Start and end dates
221001-260930
Amount granted
2 857 143 SEK
Administrative organization
Uppsala University
Research area
Materials Science and Technology

Summary

The project aims at further developing methodology for mapping in situ hydrogenation reactions at high-pressure (HP) and high-temperature (HT) using state-of-the-art tools for neutron scattering currently only available at J-PARC/MLF, and achieving the synthesis of new and possibly quenchable hydrogen-rich hydrides. The precursors employed will be high-entropy alloys (HEAs), which are multinary intermetallic phases constituting d- and f-block metals. HEAs were recently shown to exceed H uptake capabilities of H/M = 2 at near ambient pressure and thus may bear the potential to form desired (and potentially superconducting) superhydrides with H/M > 3 at gigapascal (GPa) HP conditions. Neutron diffraction can be used to follow hydrogenation reactions and offers excellent possibilities for in situ phase and structural analysis. The recent developments in HP cells at J-PARC have the potential to push the boundaries of in situ investigations of hydrogenation reaction beyond 20 GPa while simultaneously applying temperatures in excess of 1000 °C. The project will likely open up for novel hydride phases and structures and improve procedures for HP chemistry with neutrons. It is expected that the current gap toward characterizing superconducting superhydrides by neutron diffraction can be narrowed considerably.

Popular science description

The proposed research aims to develop methodologies and novel materials with high energy density which require high pressures and temperatures. High-entropy alloys present an extraordinary potential in the discovery of such materials and have been shown to intake hydrogen - an important fuel for chemical energy - under pressure. Neutrons are an ideal probe for materials bearing hydrogen and could help track and analyse chemical reactions leading to such materials. Since J-PARC is world-leading in high-pressure and temperature neutron studies at the neutron beamline PLANET, this proposal aims at exploiting the new developments in high-pressure chemistry with neutrons to push the boundaries for successful research in this field. The methods developed and materials discovered in the proposed project will be of high scientific value with long-term benefits to Sweden's economy and sustainability.