Lanthanide transport in angstrom-scale MoS₂-based two-dimensional channels.

Abstract

Rare earth elements (REEs), critical to modern industry, are difficult to separate and purify, given their similar physicochemical properties originating from the lanthanide contraction. Here, we systematically study the transport of lanthanide ions (Ln³⁺) in artificially confined angstrom-scale two-dimensional channels using MoS₂-based building blocks in an aqueous environment. The results show that the uptake and permeability of Ln³⁺ assume a well-defined volcano shape peaked at Sm³⁺. This transport behavior is rooted from the tradeoff between the barrier for dehydration and the strength of interactions of lanthanide ions in the confinement channels, reminiscent of the Sabatier principle. Molecular dynamics simulations reveal that Sm³⁺, with moderate hydration free energy and intermediate affinity for channel interaction, exhibit the smallest dehydration degree, consequently resulting in the highest permeability. Our work not only highlights the distinct mass transport properties under extreme confinement but also demonstrates the potential of dialing confinement dimension and chemistry for greener REEs separation.