Nuclear quantum effects induce superionic proton transport in nanoconfined water

TL;DR

This study demonstrates that nuclear quantum effects significantly enhance proton transport in nanoconfined water, inducing superionic behavior at lower conditions than in bulk water, with implications for experimental realization.

Contribution

It reveals the crucial role of nuclear quantum effects in enabling superionic proton conduction in nanoconfined water through first-principles simulations.

Findings

Nuclear quantum effects increase ionic conductivity.

Superionic behavior occurs at lower temperatures and pressures.

Potential for experimental observation in graphene nanocapillaries.

Abstract

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.