DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Scaling of ionic conductance in a fluctuating single-layer nanoporous membrane

Journal Article · · Scientific Reports

Abstract Single-layer membranes have emerged as promising candidates for applications requiring high transport rates due to their low resistance to molecular transport. Owing to their atomically thin structure, these membranes experience significant microscopic fluctuations, emphasizing the need to explore their impact on ion transport processes. In this study, we investigate the effects of membrane fluctuations on the elementary scaling behavior of ion conductance $$G$$ G as a function of ion concentration $$$$c_{0}$$$$ c 0 , represented as $$$$G = \beta c_{0}^{\alpha }$$$$ G = β c 0 α , using molecular dynamics simulations. Our findings reveal that membrane fluctuations not only alter the conductance coefficient $$$$\beta$$$$ β but also the power-law exponent $$$$\alpha$$$$ α . We identify two distinct frequency regimes of membrane fluctuations, GHz-scale and THz-scale fluctuations, and examine their roles in conductance scaling. Furthermore, we demonstrate that the alteration of conductance scaling arises from the non-linearity between ion conductance and membrane shape. This work provides a fundamental understanding of ion transport in fluctuating membranes.

Research Organization:
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Sponsoring Organization:
USDOE; USDOE Office of Science (SC)
Grant/Contract Number:
SC0019112; 2140225
OSTI ID:
2205535
Alternate ID(s):
OSTI ID: 2471942
Journal Information:
Scientific Reports, Journal Name: Scientific Reports Vol. 13 Journal Issue: 1; ISSN 2045-2322
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United Kingdom
Language:
English

References (50)

Activation of atomic transport via vibrational coupling-induced force fluctuations journal August 2023
Rapid switching of ion current in narrow pores: implications for biological ion channels
  • Lev, A. A.; Korchev, Y. E.; Rostovtseva, T. K.
  • Proceedings of the Royal Society of London. Series B: Biological Sciences, Vol. 252, Issue 1335, p. 187-192 https://doi.org/10.1098/rspb.1993.0064
journal June 1993
Scaling Behavior for Ionic Transport and its Fluctuations in Individual Carbon Nanotubes journal April 2016
Water transport inside carbon nanotubes mediated by phonon-induced oscillating friction journal July 2015
Charge equilibration for molecular dynamics simulations journal April 1991
Towards sustainable ultrafast molecular-separation membranes: From conventional polymers to emerging materials journal March 2018
Ion transport in two-dimensional flexible nanoporous membranes journal January 2023
A hybrid zeolitic imidazolate framework Co-IM-mIM membrane for gas separation journal August 2017
Transport phenomena in nanofluidics journal July 2008
Plant mechanosensitive ion channels: an ocean of possibilities journal December 2017
Stacked Graphene-Al 2 O 3 Nanopore Sensors for Sensitive Detection of DNA and DNA–Protein Complexes journal December 2011
Nanofluidics, from bulk to interfaces journal January 2010
Hexaaminobenzene as a building block for a Family of 2D Coordination Polymers journal December 2016
Single-layer MoS2 nanopores as nanopower generators journal July 2016
Molecular transport through capillaries made with atomic-scale precision journal September 2016
Giant osmotic energy conversion measured in a single transmembrane boron nitride nanotube journal February 2013
Progress and prospects of two-dimensional materials for membrane-based osmotic power generation journal June 2022
Phonon-Fluid Coupling Enhanced Water Desalination in Flexible Two-Dimensional Porous Membranes journal December 2021
Water Desalination across Nanoporous Graphene journal June 2012
Flexible simple point-charge water model with improved liquid-state properties journal January 2006
Single-Walled Carbon Nanotubes: Mimics of Biological Ion Channels journal January 2017
Robust and conductive two-dimensional metal−organic frameworks with exceptionally high volumetric and areal capacitance journal January 2018
Optimization of the OPLS-AA Force Field for Long Hydrocarbons journal March 2012
On the Importance of Atomic Fluctuations, Protein Flexibility, and Solvent in Ion Permeation journal November 2004
Strong Electroosmotic Coupling Dominates Ion Conductance of 1.5 nm Diameter Carbon Nanotube Porins journal November 2019
Highly flexible and superhydrophobic MOF nanosheet membrane for ultrafast alcohol-water separation journal October 2022
Two-dimensional covalent triazine framework as an ultrathin-film nanoporous membrane for desalination journal January 2015
Nonlinear electrohydrodynamic ion transport in graphene nanopores journal January 2022
Recent advances in 2D nanopores for desalination journal May 2018
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids journal January 1996
Ion Channels — Basic Science and Clinical Disease journal May 1997
Ion Transport in Electrically Imperfect Nanopores journal July 2020
Microscopic insight into anion conduction in covalent−organic framework membranes: A molecular simulation study journal September 2022
Water desalination using nanoporous single-layer graphene journal March 2015
Surface-Charge-Governed Ion Transport in Nanofluidic Channels journal July 2004
ReaxFF:  A Reactive Force Field for Hydrocarbons journal October 2001
Effects of surface-charge regulation, convection, and slip lengths on the electrical conductance of charged nanopores journal January 2022
Scaling Behavior of Ionic Transport in Membrane Nanochannels journal September 2018
Watching the Low-Frequency Motions in Aqueous Salt Solutions: The Terahertz Vibrational Signatures of Hydrated Ions journal December 2011
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool journal December 2009
Water Desalination with Two-Dimensional Metal–Organic Framework Membranes journal October 2019
Two-Dimensional Nanofluidic Membranes toward Harvesting Salinity Gradient Power journal October 2021
Water desalination with a single-layer MoS2 nanopore journal October 2015
Highly mechanosensitive ion channels from graphene-embedded crown ethers journal November 2018
Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations journal July 2008
Effect of interfacial vibrational coupling on surface wettability and water transport journal August 2022
Water Desalination through Zeolitic Imidazolate Framework Membranes: Significant Role of Functional Groups journal November 2015
Role of charge regulation and flow slip in the ionic conductance of nanopores: An analytical approach journal July 2018
Accurate Simulation of Surfaces and Interfaces of Face-Centered Cubic Metals Using 12−6 and 9−6 Lennard-Jones Potentials journal October 2008
High-Performance Ionic Diode Membrane for Salinity Gradient Power Generation journal August 2014