Machine learning enabled quantification of the hydrogen bonds inside the polyelectrolyte brush layer probed using all-atom molecular dynamics simulations.
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DOI: 10.1039/d2sm00997h
Abstract: The configuration of densely grafted charged polyelectrolyte (PE) brushes is strongly dictated by the properties and behavior of the counterions that screen the PE brush charges and the solvent molecules (typically water) that solvate the… read more here.
Keywords: brush layer; inside brush; water; hbs ... See more keywords