Topological Frustration Triggers Ultrafast Dynamics of Monolayer Water Confined in Graphene Slit Pores.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 39592143.
- Also identified by DOI 10.1021/acs.nanolett.4c04077 and PMC identifier 11638954.
- Licence recorded as CC BY.
- The licence permits redistribution, so the abstract is shown in full and the full text is available from the publisher.
Abstract
Nanoconfined water exhibits astonishing properties that offer new opportunities in physics, biology and technology like energy-storage applications. Here we study such nanoconfined water using <i>ab initio</i> molecular dynamics simulations to elucidate the structure and dynamics of water monolayers in graphene-based slit pores. The significant population of dangling (or free) O-H bonds pointing toward the two confining walls, leads to topological frustration in the hydrogen bond network. This provides a novel channel for ultrafast diffusion distinct from what has been observed in bulk or interfacial water.