MIL‐96‐Al for Li–S Batteries: Shape or Size?
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- Validation status
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Abstract
Metal-organic frameworks (MOFs) with controllable shapes and sizes show a great potential in Li-S batteries. However, neither the relationship between shape and specific capacity nor the influence of MOF particle size on cyclic stability have been fully established yet. Herein, MIL-96-Al with various shapes, forming hexagonal platelet crystals (HPC), hexagonal bipyramidal crystals (HBC), and hexagonal prismatic bipyramidal crystals (HPBC) are successfully prepared via cosolvent methods. Density functional theory (DFT) calculations demonstrate that the HBC shape with highly exposed (101) planes can effectively adsorb lithium polysulfides (LPS) during the charge/discharge process. By changing the relative proportion of the cosolvents, HBC samples with different particle sizes are prepared. When these MIL-96-Al crystals are used as sulfur host materials, it is found that those with a smaller size of the HBC shape deliver higher initial capacity. These investigations establish that different crystal planes have different adsorption abilities for LPS, and that the MOF particle size should be considered for a suitable sulfur host. More broadly, this work provides a strategy for designing sulfur hosts in Li-S batteries.
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The record
- Venue
- Advanced Materials
- Topic
- Advanced Battery Materials and Technologies
- Field
- Engineering
- Canadian institutions
- —
- Funders
- Government of SaskatchewanGuangdong-Hong Kong-Macao Joint Laboratory of Human-Machine Intelligence-Synergy SystemsNational Research CouncilCanadian Institutes of Health ResearchNatural Science Foundation of Jiangsu ProvinceNational Natural Science Foundation of ChinaUniversity of Saskatchewan
- Keywords
- Materials scienceHexagonal crystal systemParticle sizeBipyramidAdsorptionCrystal (programming language)Lithium (medication)Particle (ecology)SulfurDensity functional theoryChemical engineeringNanotechnologyChemical physicsCrystallographyCrystal structureComputational chemistryPhysical chemistryChemistryMetallurgy
- Has abstract in OpenAlex
- yes