Cooperative and inhibitory ion transport in functionalized angstrom-scale two-dimensional channels

Wang, Mingzhan; Xiong, Qinsi; Yue, Xiaolin; Yan, Gangbin; Han, Yu; Lyu, Zhiheng; Li, Zhen; Sun, Leeann; Hoenig, Eli; Xu, Kangli; Lewis, Nicholas H. C.; Merz, Jr., Kenneth M.; Chen, Qian; Schatz, George C.; Liu, Chong

doi:10.1038/s41467-025-61307-x

Title: Cooperative and inhibitory ion transport in functionalized angstrom-scale two-dimensional channels

Journal Article · Tue Jul 01 00:00:00 UTC 2025 · Nature Communications

DOI: https://doi.org/10.1038/s41467-025-61307-x · OSTI ID:3028820

^[1]; Xiong, Qinsi ^[2]; Yue, Xiaolin ^[3];

^[3];

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^[5]; Sun, Leeann ^[3]; Hoenig, Eli ^[3]; Xu, Kangli ^[3];

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^[5];

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^[2];

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Univ. of Chicago, IL (United States); City Univ. of Hong Kong, Kowloon (Hong Kong)
Northwestern Univ., Evanston, IL (United States)
Univ. of Chicago, IL (United States)
Univ. of Illinois at Urbana-Champaign, IL (United States)
Michigan State Univ., East Lansing, MI (United States)

Significant success has been achieved in fabricating angstrom-scale artificial solid ionic channels aiming to replicate the biological ion channels (BICs). Besides high selectivity, BICs also exhibit sophisticated ion gating and interplay. However, such behavior and functionality are seldomly recreated in the artificial counterparts due to the insufficient understanding of the molecular origin. Here we report cooperative and inhibitory ion transport in angstrom-scale acetate functionalized MoS₂ two-dimensional channels. For cooperative ion transport, the permeability of K⁺ is doubled in the presence of only 1% Pb²⁺ (versus K⁺ by molarity), while the permeability of Pb²⁺ is independent of K⁺. Molecular dynamics simulations reveal complex interplay among K⁺, Pb²⁺, and the anions in governing the cooperativity, such that Pb²⁺ ions capture and slow down the anions via long-range interaction, which leads to the synchronization of anions with K⁺ to transport as ion pairs with reduced interaction with the channel surface. For inhibitory ion transport, divalent Co²⁺ (or Ba²⁺) and Pb²⁺ can replace each other in the confined channel and compete for the limited transport cross section. Our work reveals ion transport phenomena in extreme confinement and highlights the potential of manipulating ion interplay in confinement for achieving advanced functionalities.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Advanced Materials for Energy-Water Systems (AMEWS); Energy Frontier Research Centers, Washington, DC (United States) (EFRC)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 3028820

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 16; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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