Fine-tuned MOF-74 type variants with open metal sites for high volumetric hydrogen storage at near-ambient temperature

Dae Won Kim, Minji Jung, Dong Yun Shin, Namju Kim, Jaewoo Park, Jung Hoon Lee, Hyunchul Oh, Chang Seop Hong

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)

Abstract

Adsorbent-based hydrogen storage systems offer a potential solution to current challenges in hydrogen storage, particularly those requiring high pressures or cryogenic temperatures. Specifically, the use of metal–organic frameworks (MOFs) featuring open metal sites that strongly adsorb hydrogen represents a promising strategy for near-ambient-temperature hydrogen storage. This study investigates the hydrogen storage properties of M2(dondc) (M = Mg2+, Co2+, and Ni2+), an extended version of MOF-74. Among this series, Ni2(dondc) exhibits the second-highest volumetric hydrogen capacity of 10.74 g L−1 at 298 K under pressure swing adsorption conditions (100 to 5 bar) at ambient temperatures. The superior hydrogen storage performance of Ni2(dondc) is attributed to its highly polarizable Ni open metal sites and a significant heat of adsorption of 12.2 kJ mol−1. These findings are corroborated by temperature-programmed desorption spectroscopy and van der Waals-corrected density functional theory calculations. In addition to its exceptional hydrogen capacity, Ni2(dondc) exhibits robust structural stability and long-term durability, positioning it as a promising candidate for near-ambient-temperature hydrogen storage applications.

Original languageEnglish
Article number151500
JournalChemical Engineering Journal
Volume489
DOIs
Publication statusPublished - 2024 Jun 1

Bibliographical note

Publisher Copyright:
© 2024 Elsevier B.V.

Keywords

  • Hydrogen storage
  • Metal-Organic frameworks
  • Open metal sites
  • Physisorption
  • Porosity

ASJC Scopus subject areas

  • General Chemistry
  • Environmental Chemistry
  • General Chemical Engineering
  • Industrial and Manufacturing Engineering

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