Fast Ions Transportation in Nanochannel with ATPase‐Like Structure

Abstract

Ion transport plays an important role in various biological processes because of the ability of ions to move rapidly in biological ion channel‐confined spaces. For example, rapid proton transport in ATPases is attributed to confined channel spaces and conjugated sites. According to molecular dynamics simulations, the confined spaces and conjugated sites in nanochannels can enhance ion transport. Herein, it is demonstrated that the ATPase‐like structures of sulfonic acid‐modified covalent organic framework nanochannels, which promote the formation of highly ordered and continuous water molecular chains and confined spaces, can support ion (H+, Li+, Na+, and K+) transport rates that are an order of magnitude higher than those of bulk water. The ion transport rates in the nanochannel are superior to those in other artificial channels. Moreover, the selectivity of cations in the nanochannel is evaluated using the diffusion potential with a concentration gradient. The simulations and experimental results demonstrate that confined spaces and conjugated sites are crucial for efficient ion transport in nanochannels modified by sulfonic acid groups as cation conductor materials.

Keywords

• covalent organic frameworks channels
• fast ion transportation
• ion mobility
• molecular dynamics
• transport activation energy