2011/06/22 by Luis Figueras, Figueras, Luis, Jordi Faraudo +1
Engineering · Materials Science · Physics and Astronomy · #Carbon Nanotubes in Composites #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Graphene research and applications #Nanopore and Nanochannel Transport Studies #Quantum and electron transport phenomena #Soft Condensed Matter (cond-mat.soft) #cond-mat.soft #physics.comp-ph
paper · pdf · doi:10.48550/arxiv.1106.4392
Accepted in Molecular Simulation
arxiv created 2011/06/22 · openalex publication_date 2011/06/22 · arxiv updated 2011/06/23 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Recent studies have shown the possibility of water transport across carbon nanotubes, even in the case of nanotubes with small diameter (0.822 nm). In this case, water shows subcontinuum transport following an ordered 1D structure stabilized by hydrogen bonds. In this work, we report MD simulations describing the effect of a perpendicular electric field in this single-file water transport in carbon nanotubes. We show that water permeation is substantially reduced for field intensities of 2-3 V/nm and it is no longer possible under perpendicular fields of 4 V/nm.