Ion Sieving in Two-Dimensional Membranes from First Principles
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DOI: 10.1021/acsnano.4c13575
Abstract: A first-principles approach for calculating ion separation in solution through two-dimensional (2D) membranes is proposed and applied. Ionic energy profiles across the membrane are obtained first, where solvation effects are simulated explicitly with machine-learning molecular… read more here.
Keywords: sieving two; ion sieving; dimensional membranes; membranes first ... See more keywords