most citedMachine Learning the Energetics of Electrified Solid/Liquid Interfaces

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cond-mat.soft2024

Ion Sieving in Two-Dimensional Membranes from First Principles

Nicéphore Bonnet, Nicola Marzari

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…