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Nuclear quantum effects induce superionic proton transport in nanoconfined water

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arxiv 2410.03272 v1 pith:VBWSBIS2 submitted 2024-10-04 cond-mat.mtrl-sci

classification cond-mat.mtrl-sci
keywords waternanoconfinedsuperioniceffectsnuclearquantumlowerpressures
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Recent work has suggested that nanoconfined water may exhibit superionic proton transport at lower temperatures and pressures than bulk water. Using first-principles-level simulations, we study the role of nuclear quantum effects in inducing this superionicity in nanoconfined water. We show that nuclear quantum effects increase the ionic conductivity of nanoconfined hexatic water, leading to superionic behaviour at lower temperatures and pressures than previously thought possible. Our work suggests that superionic water may be accessible in graphene nanocapillary experiments.

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