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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

Pavan Ravindra , Xavier R. Advincula , Benjamin X. Shi , Samuel W. Coles , Angelos Michaelides , Venkat Kapil This is my paper · ORCID
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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Cited by 2 Pith papers

Reviewed papers in the Pith corpus that reference this work. Sorted by Pith novelty score. Full citation record

  1. Electric-Field Driven Nuclear Dynamics of Liquids and Solids from a Multi-Valued Machine-Learned Dipolar Model

    cond-mat.mtrl-sci 2025-02 conditional novelty 7.0 of 10

    A multi-valued machine-learned dipole model with oxidation-number corrections enables electric-field-driven molecular dynamics for liquids and solids, demonstrated on water and LiNbO3.

  2. Nanoconfined superionic water is a molecular superionic

    physics.chem-ph 2025-05 conditional novelty 6.0 of 10

    Nanoconfined water is shown to be a molecular superionic that conducts protons via chain-like Grotthuss hopping, enabled by short oxygen contacts and dangling hydrogen bonds.

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