2026-04-30T18:14:20Z https://archive.materialscloud.org/oai2d

oai:materialscloud.org:n5wb4-ckd70 2026-03-17T16:04:58Z openaire_data community-mcarchive

Yasuda, Yukihiro Oki, Osamu Shimozato, Shohei Goto, Kazuho Noguchi, Natsumi Shin-ichi, Ito Hikichi, Miwa Tsuji, Ryuki Nakahira, Yuki Utsumi, Reina Saitoh, Hiroyuki Nakano, Satoshi Naka, Shunsuke Ikutaro, Hamada Orimo, Shin-ichi Kondo, Takahiro 2026-03-17 <p>Hydrogen carriers that enable efficient transport and on-demand release of molecular hydrogen (H<sub>2</sub>) are crucial for practical hydrogen-based energy systems. Hydrogen boride (HB) nanosheets, composed of boron and hydrogen in a 1:1 stoichiometric ratio, have promising potential as safe and lightweight hydrogen carriers owing to their high gravimetric hydrogen density (8.5 wt %). In particular, heating of HB nanosheets results in H<sub>2</sub> release over a broad temperature range from 423 to 1473 K. However, the mechanism of the multimodal H₂ desorption remains unclear. In this work, we elucidate that the interlayer H···H distances (dH···H) determine the multimodal desorption of H<sub>2</sub> especially in the lower-temperature range (< 623 K). HB nanosheets subjected to various temperatures under different H<sub>2</sub> pressures were prepared to investigate the thermal stability of their bonding configurations. Infrared spectroscopy and temperature-programmed desorption measurements revealed the occurrence of hydrogen depletion while the bonding configuration remains unchanged. The first to third nearest dH···H, along with the numbers of the corresponding H···H pairs, were systematically calculated for four possible interlayer stacking types. The calculated H···H pairs distribution closely matched the experimental profile for the thermally induced H<sub>2</sub> desorption, suggesting that the multimodal desorption of H<sub>2</sub> in the lower-temperature range is governed by the distribution of hydrogen distances. This study elucidates the unique mechanisms of H<sub>2</sub> formation in HB nanosheets and provides valuable insights into the design of two-dimensional hydrogen containing materials.</p> text/markdown application/gzip https://doi.org/10.24435/materialscloud:h7-jj oai:materialscloud.org:n5wb4-ckd70 mcid:2026.63 eng Materials Cloud https://archive.materialscloud.org/communities/mcarchive https://doi.org/10.24435/materialscloud:hn-rm info:eu-repo/semantics/openAccess Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode hydrogen release hydrogen boride nanosheet interlayer space two-dimensional materials Interlayer hydrogen-hydrogen spacing regulates the formation of molecular hydrogen in hydrogen boride nanosheets info:eu-repo/semantics/other