Optimizing Hydrogen Storage in MOFs through Engineering of Crystal Morphology and Control of Crystal Size

2021/07/09 by Kuthuru Suresh, Darpandeep Aulakh, Justin Purewal +3 · 23 citations
Chemistry · Materials Science · #Bar (unit) #Boron and Carbon Nanomaterials Research #Chemical engineering #Chemistry #Compaction #Composite material #Computer science #Crystal (programming language) #Crystal engineering #Crystal structure #Crystallography #Hydrogen #Hydrogen Storage and Materials #Hydrogen storage #Materials science #Metal-Organic Frameworks: Synthesis and Applications #Nanotechnology #Organic chemistry #Sphere packing

paper · doi:10.1021/jacs.1c04926

openalex publication_date 2021/07/09 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05

Abstract

Metal-organic frameworks (MOFs) are promising materials for hydrogen storage that fail to achieve expected theoretical values of volumetric storage density due to poor powder packing. A strategy that improves packing efficiency and volumetric hydrogen gas storage density dramatically through engineered morphologies and controlled-crystal size distributions is presented that holds promise for maximizing storage capacity for a given MOF. The packing density improvement, demonstrated for the benchmark sorbent MOF-5, leads to a significant enhancement of volumetric hydrogen storage performance relative to commercial MOF-5. System model projections demonstrate that engineering of crystal morphology/size or use of a bimodal distribution of cubic crystal sizes in tandem with system optimization can surpass the 25 g/L volumetric capacity of a typical 700 bar compressed storage system and exceed the DOE targets 2020 volumetric capacity (30 g/L). Finally, a critical link between improved powder packing density and reduced damage upon compaction is revealed leading to sorbents with both high surface area and high density.

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