Ionic Transport in Electrostatic Janus Membranes. An Explicit Solvent Molecular Dynamic Simulation.

ABSTRACT: Janus, or two-sided, charged membranes offer promise as ionic current rectifiers. In such systems, pores consisting of two regions of opposite charge can be used to generate a current from a gradient in salinity. The efficiency of nanoscale Janus pores increases dramatically as their diameter becomes smaller. However, little is known about the underlying transport processes, particularly under experimentally accessible conditions. In this work, we examine the molecular basis for rectification in Janus nanopores using an applied electric field. Molecular simulations with explicit water and ions are used to examine the structure and dynamics of all molecular species in aqueous electrolyte solutions. For several macroscopic observables, the results of such simulations are consistent with expe

SUBMITTER: Montes de Oca JM 

PROVIDER: S-EPMC8945361 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature