Dynamics at a Janus Interface

Michael von Domaros

doi:10.1021/jp3111259

Dynamics at a Janus Interface

2013-02-20

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DOI：10.1021/jp3111259

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Electric field effects on water interfacial properties abound, ranging from electrochemical cells to nanofluidic devices to membrane ion channels. On the nanoscale, spontaneous orientational polarization of water couples with field alignment, resulting in an asymmetric wetting behavior of opposing surfaces-a field-induced analogue of a chemically generated Janus interface. Using atomistic simulations, we uncover a new and significant field polarity (sign) dependence of the dipolarorientation polarization dynamics in the hydration layer. Applying electric fields across a nanoparticle, or a nanopore, can lead to close to 2 orders of magnitude difference in response times of water polarization at opposite surfaces. Typical time scales are within the O(10(-1)) to O(10) picosecond regime. Temporal response to the field change also reveals strong coupling between local polarization and interfacial density relaxations, leading to a nonexponential and in some cases, nonmonotonic response. This work highlights the surprisingly strong asymmetry between reorientational dynamics at surfaces with incoming and which is even more pronounced than the asymmetry in static properties of a field induced Janus interface. outgoing fields,

Keywords:

HYDROGEN-BOND DYNAMICS

ELECTRIC-FIELD

LIQUID WATER

SURFACE-TENSION

ORIENTATIONAL DYNAMICS

EWALD SUMMATION

POINT-CHARGE

SIMULATIONS

ION

PERMITTIVITY

Dynamics at a Janus Interface

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