Ion transport across solid-state ion channels perturbed by directed strain

• Published in: Nanoscale Vol. 12; no. 18; pp. 1328 - 1334
• Main Authors: Smolyanitsky, A, Fang, A, Kazakov, A. F, Paulechka, E
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry 14.05.2020
• Subjects: Anisotropy; Axisymmetric flow; Computer simulation; Electrostatics; Graphene; Ion channels; Ion transport; Membranes; Molecular dynamics; Permeability; Porosity; Quantum chemistry; Solid state

We combine quantum-chemical calculations and molecular dynamics simulations to consider aqueous ion flow across non-axisymmetric nanopores in monolayer graphene and MoS 2 . When the pore-containing membrane is subject to uniaxial tensile strains applied in various directions, the corresponding perme...