Authors
Mengwei Zhang, Yiqi Jing, Jiadong Tang, Shiwen Wang, Zihan Liu, Bing Liu, Zilong Zheng, Qianqian Zhang
Published in
Nano letters. Sep 08, 2025. Epub Sep 08, 2025.
Abstract
Two-dimensional (2D) nanofluidic architectures with nanoconfined interlayer channels and excess surface charges have revolutionized membrane-based reverse electrodialysis systems, demonstrating highly efficient osmotic energy collection through strong electrostatic screening of electric double layer (EDL). However, the ion-transport dynamics in 2D nanofluidic anion-selective membranes (2D-NAMs) still remain unexplored. Here, we combine density functional theory and molecular dynamics (MD) simulations to systematically explore ion transport in the 2D-NAMs. Ab initio MD simulations reveal that anions follow a rapid "sequential site-hopping" migration principle within the EDL-confined nanochannels. Classical MD simulations show that optimizing nanosheet layers, surface charge density, and migration pathways improves ion selectivity and permeability, boosting osmotic power output. Guided by these insights, a maximum power density of 5.86 W m-2 is achieved under a 50-fold salinity gradient mimicking seawater/river water, exceeding the benchmark for commercial viability. This work provides an atomic-level understanding of ion transport in 2D-NAMs and theoretical guidance for designing high-performance membranes for scalable osmotic energy harvesting.
PMID:
40920337
Bibliographic data and abstract were imported from PubMed on 08 Sep 2025.
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