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Updated: Feb 14, 2026

Surface Properties of Synthesized Nanoporous Carbon and Silica Matrices
Published on: March 27, 2019
The effect of different organic solvents on sodium ion storage in carbon nanopores
Argyrios Karatrantos1, Sharif Khan, Tomonori Ohba
1Department of Chemical and Process Engineering, University of Surrey, Guildford GU2 7XH, UK. q.cai@surrey.ac.uk.
Abstract:
In this study fully atomistic grand canonical Monte Carlo (GCMC) simulations have been employed to study the behaviour of an electrolyte salt (NaPF6) and different non-aqueous (organic) solvents in carbon nanopores, to reveal the structure and storage mechanism. Organic solutions of Na+ and PF6- ions at 1 M concentration were considered, based on the conditions in operational sodium ion batteries and supercapacitors. Three organic solvents with different properties were selected: ethylene carbonate (EC), propylene carbonate (PC), and ethyl methyl carbonate (EMC). The effects of solvents, pore size and surface charge were quantified by calculating the radial distribution functions and ionic density profiles. It is shown that the organic solvent properties and nanopore confinement can affect the structure of the organic electrolyte solution. For the pore size range (1-5 nm) investigated in this paper, the surface charge used in this study can alter the sodium ions but not the solvent structure inside the pore.
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