石墨烯
离子
化学物理
材料科学
纳米孔
电解质
致潮剂
膜
分子动力学
纳米技术
化学
计算化学
物理化学
有机化学
电极
生物化学
作者
Diyan Liu,Zhiyuan Xiong,Peiyao Wang,Qinghua Liang,Haijin Zhu,Jefferson Zhe Liu,Maria Forsyth,Dan Li
出处
期刊:Nano Letters
[American Chemical Society]
日期:2023-06-14
卷期号:23 (12): 5555-5561
被引量:2
标识
DOI:10.1021/acs.nanolett.3c00877
摘要
Ion adsorption within nanopores is involved in numerous applications. However, a comprehensive understanding of the fundamental relationship between in-pore ion concentration and pore size, particularly in the sub-2 nm range, is scarce. This study investigates the ion-species-dependent concentration in multilayered graphene membranes (MGMs) with tunable nanoslit sizes (0.5–1.6 nm) using nuclear magnetic resonance and computational simulations. For Na+-based electrolytes in MGMs, the concentration of anions in graphene nanoslits increases in correlation with their chaotropic properties. As the nanoslit size decreases, the concentration of chaotropic ion (BF4–) increases, whereas the concentration of kosmotropic ions (Cit3–, PO43–) and other ions (Ac–, F–) decreases or changes slightly. Notably, anions remain more concentrated than counter Na+ ions, leading to electroneutrality breakdown and unipolar anion packing in MGMs. A continuum modeling approach, integrating molecular dynamic simulation with the Poisson–Boltzmann model, elucidates these observations by considering water-mediated ion–graphene non-electrostatic interactions and charge screening from graphene walls.
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