Topological Frustration Triggers Ultrafast Dynamics of Monolayer Water Confined in Graphene Slit Pores
Year: 2024
Type: article
Abstract: High Resolution Image Download MS PowerPoint Slide 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 ab initio 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.
Source: Nano Letters
Language: English
Subfield: Biomedical Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $4,500
Awards: EXC 2033: RESOLV (Ruhr Explores Solvation), G199205490, Fellowship Program of the NCCR MUST (National Competence Center for Research in Molecular Ultrafast Science and Technology) and the Cluster of Excellence RESOLV, G2681747414, G274347230, Fellowship Program of the NCCR MUST (National Competence Center for Research in Molecular Ultrafast Science and Technology) and the Cluster of Excellence RESOLV, G434337789, G649001848
OpenAlex ID: W4404732944