Ion Selectivity, Current, and Water Flow Regulation in Ti₃C₂ MXene Nanopores.

IF 9.6 1区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Nano Letters Pub Date : 2024-07-01 DOI:10.1021/acs.nanolett.4c01892

Sangyeon Lee, Su-Gwang Go, Hyung Gyu Park, Myung Eun Suk

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Abstract

Recent years have seen a growing interest in zero-dimensional (0D) transport phenomena occurring across two-dimensional (2D) materials for their potential applications to nanopore technology such as ion separation and molecular sensing. Herein, we investigate ion transport through 1 nm-wide nanopores in Ti₃C₂ MXene using molecular dynamics simulations. The high polarity and fish-bone arrangement of the Ti₃C₂ MXene offer a built-in potential and an atomic-scale distortion to the nanopore, causing an adsorption preference for cations. Our observation of variable cation-specific ion selectivity and Coulomb blockade highlights the complex interplay between adsorption affinity and cation size. The cation-specific ion selectivity can induce both the ion current and electro-osmotic water transmission, which can be regulated by tailoring the ions' preferential pathways through electric field tilting. Our finding underscores the pivotal role of the atomic arrangement of MXenes in 0D ion transport and provides fundamental insight into the application of 2D material in nanopores-based technologies.

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Ti3C2 MXene 纳米孔中的离子选择性、电流和水流调节。

近年来，人们对发生在二维（2D）材料上的零维（0D）输运现象越来越感兴趣，因为这些现象有可能应用于纳米孔技术，如离子分离和分子传感。在此，我们利用分子动力学模拟研究了离子通过 Ti3C2 MXene 中 1 nm 宽纳米孔的传输。Ti3C2 MXene 的高极性和鱼骨状排列为纳米孔提供了内置电势和原子尺度的变形，从而导致对阳离子的吸附偏好。我们观察到的可变阳离子特异性离子选择性和库仑阻滞突出表明了吸附亲和力与阳离子大小之间复杂的相互作用。阳离子特异性离子选择性可诱导离子电流和电渗水传输，这可通过电场倾斜来调整离子的优先路径。我们的发现强调了 MXenes 的原子排列在 0D 离子传输中的关键作用，并为二维材料在纳米孔技术中的应用提供了基本见解。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Nano Letters 工程技术-材料科学：综合

CiteScore

16.80

自引率

2.80%

发文量

1182

审稿时长

1.4 months

期刊介绍： Nano Letters serves as a dynamic platform for promptly disseminating original results in fundamental, applied, and emerging research across all facets of nanoscience and nanotechnology. A pivotal criterion for inclusion within Nano Letters is the convergence of at least two different areas or disciplines, ensuring a rich interdisciplinary scope. The journal is dedicated to fostering exploration in diverse areas, including: - Experimental and theoretical findings on physical, chemical, and biological phenomena at the nanoscale - Synthesis, characterization, and processing of organic, inorganic, polymer, and hybrid nanomaterials through physical, chemical, and biological methodologies - Modeling and simulation of synthetic, assembly, and interaction processes - Realization of integrated nanostructures and nano-engineered devices exhibiting advanced performance - Applications of nanoscale materials in living and environmental systems Nano Letters is committed to advancing and showcasing groundbreaking research that intersects various domains, fostering innovation and collaboration in the ever-evolving field of nanoscience and nanotechnology.