Molecular dynamics simulations reveal how functional groups affect permeability and ion rejection in MoS2 membranes, suggesting improved designs for water purification.
Ultrathin nanoporous membranes based on two-dimensional materials, including molybdenum disulfide (MoS2), offer excellent separation efficiency and chemical stability, making them promising candidates for water purification. Prior molecular dynamics (MD) simulations...
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Dhondi et al. (2026) studied this question.
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