Mechanistic engineering of highly selective COF-OEt/PSS on the HKUST-1/PSS membrane for lithium-ion extraction

Document Type

Journal Article

Publication Title

Industrial & Engineering Chemistry Research

Publisher

ACS

School

School of Engineering

RAS ID

64655

Comments

Maleki, R., Khedri, M., Chellehbari, Y. M., Golmohammadi, M., Rezvantalab, S., Cha-umpong, W., & Razmjou, A. (2023). Mechanistic engineering of highly selective COF-OEt/PSS on the HKUST-1/PSS membrane for lithium-ion extraction. Industrial & Engineering Chemistry Research, 62(44), 18612-18620. https://doi.org/10.1021/acs.iecr.3c02354

Abstract

The substantial and unexpected increase in the demand for electric vehicles that use lithium-ion batteries has disrupted the Li supply-demand balance. Although metal/covalent organic framework (MOF/COF) membranes have shown promising performance for ion separation, their Li-ion selectivities are not high enough to meet industrial requirements. Herein, we introduce a new concept of the COF-on-MOF system as an approach to boost the Li-ion selectivity. The mechanism and efficiency of the single MOF membrane that is made of HKUST-1 functionalized with polystyrenesulfonate (PSS) have been investigated using molecular simulation. The simulation selectivities for Li+/Na+, Li+/K+, and Li+/Mg2+ were found to be 3.25, 3.5, and 6.5, respectively. The addition of the PSS-functionalized COF-OEt layer to HKUST-1/PSS provided a chance to control the membrane’s pore size, electrostatic interactions on the atomic scale, and membrane-ions interactions. COF-OEt/PSS on HKUST-1/PSS showed a jump in Li+/Na+, Li+/K+, and Li+/Mg2+ selectivities of more than 143, 338, and 837, respectively. The concept of this study can be extended to other MOF and COF types, which will open up a new avenue of research for the design of ion-selective membranes.

DOI

10.1021/acs.iecr.3c02354

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