Confinement Effects on Reorientation Dynamics of Water Confined within Graphite Nanoslits
Chi-Wei Wang,
Yu-Wei Kuo,
Jing-Rong Zeng
et al.
Abstract:Molecular dynamics simulations were used to investigate the reorientation dynamics of water confined within graphite nanoslits of size less than 2 nm, where molecules formed inner and interfacial layers parallel to the confining walls. Significantly related to molecular reorientations, the hydrogen-bond (HB) network of nanoconfined water therein was scrutinized by HB configuration fractions compared to those of bulk water and the influences on interfacial-molecule orientations relative to a nearby C atom plate… Show more
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