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Research output: Contribution to conference - Without ISBN/ISSN › Conference paper › peer-review
Research output: Contribution to conference - Without ISBN/ISSN › Conference paper › peer-review
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TY - CONF
T1 - Prehistory probability distribution of ionic transitions through a graphene nanopore
AU - Guardiani, Carlo
AU - Barabash, Miraslau L.
AU - Gibby, William A.T.
AU - Luchinsky, Dmitry G.
AU - Khovanov, Igor A.
AU - McClintock, Peter V.E.
PY - 2019/8/23
Y1 - 2019/8/23
N2 - We analyze selective ionic conduction through an artificial nanopore in a single graphene sheet, using molecular dynamics simulations and the prehistory probability distribution. We assess position-dependent changes in the number and orientation of water molecules in the first and second hydration shells of the ion as it crosses the nanopore. We reveal coupling between an ionic double layer near the sheet to the statistical properties of the hydration shells.
AB - We analyze selective ionic conduction through an artificial nanopore in a single graphene sheet, using molecular dynamics simulations and the prehistory probability distribution. We assess position-dependent changes in the number and orientation of water molecules in the first and second hydration shells of the ion as it crosses the nanopore. We reveal coupling between an ionic double layer near the sheet to the statistical properties of the hydration shells.
KW - graphene nanopore
KW - ion permeation
KW - prehistory probability distribution
KW - molecular dynamics
M3 - Conference paper
T2 - 25th International Conference on Noise and Fluctuations
Y2 - 18 June 2019 through 21 June 2019
ER -