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

Area of Science:

• Materials Science
• Nanotechnology
• Physical Chemistry

Background:

• Rare earth elements (REEs) are vital for modern technologies but difficult to separate due to lanthanide contraction causing similar chemical properties.
• Efficient separation of REEs is a significant industrial challenge, driving research into novel separation techniques.

Purpose of the Study:

• To investigate the transport behavior of lanthanide ions (Ln3+) within angstrom-scale two-dimensional channels.
• To understand the fundamental mechanisms governing REE separation under extreme confinement.
• To explore the potential of tailored confinement for developing greener REE separation processes.

Main Methods:

• Systematic study of lanthanide ion transport in MoS2-based angstrom-scale channels using an aqueous environment.
• Utilized molecular dynamics simulations to analyze ion-channel interactions and dehydration effects.
• Investigated the relationship between ion properties, confinement, and transport efficiency.

Main Results:

• Observed a volcano-shaped trend in Ln3+ uptake and permeability, with samarium (Sm3+) exhibiting maximum permeability.
• Transport behavior is governed by a balance between dehydration energy barriers and ion-channel interaction strengths.
• Sm3+ showed the highest permeability due to moderate hydration energy and intermediate channel affinity, leading to minimal dehydration.

Conclusions:

• Extreme confinement significantly influences REE mass transport properties, deviating from bulk behavior.
• The findings demonstrate the feasibility of controlling REE separation by tuning channel dimensions and chemistry.
• This research offers a pathway toward more sustainable and efficient rare earth element separation technologies.