Gas Adsorption Snapshots in Metal-Organic Frameworks Unveil the Impact of Pore Geometry on Hydrogen Storage

Nan Chieh Chiu, Andrzej Gładysiak, Ankit K. Yadav, Coset Abreu-Jaureguí, Alicia Manjón-Sanz, Cheng Li, Hongliang Huang, Joaquin Silvestre-Albero, Kyriakos C. Stylianou

Research output: Contribution to journalArticlepeer-review

Abstract

Metal-organic frameworks (MOFs) are promising candidates for hydrogen (H2) storage. However, effective H2 storage in MOFs is challenging, because of weak adsorbent-adsorbate interactions. Optimizing the pore volume, size, and functionality in porous MOFs is crucial, but it is still unclear how to maximize H2 storage capacity while minimizing loading pressure. Herein, we investigate Al-TBAPy (H4TBAPy: 1,3,6,8-tetrakis(p-benzoic acid)pyrene), a low-density MOF, for H2 storage. Al-TBAPy features three interconnected pores (A-C), possesses a pore volume of 0.51 cm3/g, and demonstrates a H2 uptake of 22.5 mmol/g at 77 K and 100 bar. In situ deuterium (D2) gas loading neutron diffraction experiments reveal molecular-level insights into pore filling. Pores B and C exhibit high H2 affinity, while pore A, with a larger volume, takes up more H2 molecules. The collective properties of all pores and their interconnection result in a high deliverable gravimetric H2 capacity of 4.3 wt % under combined temperature and pressure swing conditions.

Original languageEnglish
Pages (from-to)4098-4105
Number of pages8
JournalACS Materials Letters
Volume6
Issue number9
DOIs
StatePublished - Sep 2 2024

Funding

K.C.S. thanks the Department of Chemistry at Oregon State University (OSU) for support through start-up funding and College of Science Industrial Partnership Award. J.S.-A. acknowledges financial support from MCIN (Project PID2022-142960OB-C21) and Conselleria de Innovacio\u0301n, Universidades, Ciencia y Sociedad Digital, Generalitat Valenciana (Project CIPROM/2021/022). A portion of this research used resources at the Spallation Neutron Source, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory (IPTS-31162 for POWGEN experiment).

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