Published in
Royal Society of Chemistry, Nanoscale, 39(12), p. 20292-20299, 2020
DOI: 10.1039/d0nr04496b
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Selectivity of Nitrate and Chloride Ions in Microporous Carbons: The Role of Anisotropic Hydration and Applied Potentials
Journal article published in 2020 by
Fikret Aydin 
,
Maira R. Ceron ,
Steven A. Hawks ,
Diego Ignacio Oyarzun,
Cheng Zhan,
Tuan Anh Pham ,
Michael Stadermann,
Patrick G. Campbell
,
Maira R. Ceron ,
Steven A. Hawks ,
Diego Ignacio Oyarzun,
Cheng Zhan,
Tuan Anh Pham ,
Michael Stadermann,
Patrick G. Campbell
This paper is made freely available by the publisher.
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Abstract
Molecular dynamics simulations show that the selectivity of nitrate over chloride in microporous carbons is determined by a complex interplay between voltage, confinement, and specific ion effects-including ion shape and local hydration structure.