AUTHOR=Nguyen The Thuong , Pétuya Claire , Talaga David , Desmedt Arnaud TITLE=Promoting the Insertion of Molecular Hydrogen in Tetrahydrofuran Hydrate With the Help of Acidic Additives JOURNAL=Frontiers in Chemistry VOLUME=8 YEAR=2020 URL=https://www.frontiersin.org/journals/chemistry/articles/10.3389/fchem.2020.550862 DOI=10.3389/fchem.2020.550862 ISSN=2296-2646 ABSTRACT=
Among hydrogen storage materials, hydrogen hydrates have received a particular attention over the last decades. The pure hydrogen hydrate is generated only at extremely high-pressure (few thousands of bars) and the formation conditions are known to be softened by co-including guest molecules such as tetrahydrofuran (THF). Since this discovery, there have been considerable efforts to optimize the storage capacities in hydrates through the variability of the formation condition, of the cage occupancy, of the chemical composition or of the hydrate structure (ranging from clathrate to semi-clathrate). In addition to this issue, the hydrogen insertion mechanism plays also a crucial role not only at a fundamental level, but also in view of potential applications. This paper aims at studying the molecular hydrogen diffusion in the THF hydrate by