Anomalous dielectric response of nanoconfined water

نویسندگان

چکیده

In order to develop a microscopic level understanding of the anomalous dielectric properties nanoconfined water (NCW), we study and compare three different systems, namely, (i) NCW between parallel graphene sheets (NCW–GSs), (ii) inside covered nanosphere (NCW–Sph), (iii) collection one- two-dimensional constrained Ising spins with fixed orientations at termini. We evaluate constant scaling ε size by using linear response theory computer simulations. find that perpendicular component remains anomalously low smaller inter-plate separations (d) over relatively wide range d. For NCW–Sph, could exactly again value slow convergence bulk. To obtain measure surface influence into bulk, introduce calculate correlation lengths values ∼9 nm for NCW–GS ∼5 which are surprisingly large, especially water. discover dipole moment autocorrelations exhibit an unexpected ultrafast decay. observe presence ubiquitous frequency ∼1000 cm−1, associated only NCW–GS. This (caging) seems play pivotal role in controlling both static dynamic responses direction. It disappears increase d manner corroborates estimated length. A similar observation is obtained NCW–Sph. Interestingly, model systems follow Glauber spin-flip dynamics reproduce general characteristics.

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ژورنال

عنوان ژورنال: Journal of Chemical Physics

سال: 2021

ISSN: ['1520-9032', '1089-7690', '0021-9606']

DOI: https://doi.org/10.1063/5.0032879