Conical nanochannels employed to create ionic current rectification (ICR) in nanofluidic devices are prone to clogging due to the contraction at one end. As an alternative approach for creating ICR, a cylindrical nanochannel covered with a polyelectrolyte layer (PEL) of variable thickness is proposed in the present study. The efficacy of the proposed design is studied by numerically solving the governing equations including the Poisson, Nernst-Planck, and Stokes-Brinkman equations. Furthermore, the fundamental mechanism behind ICR is explained using a simplified one-dimensional model. The effects of the nanochannel radius, concentration of PEL fixed charges, and bulk ionic concentration on the rectification factor are then investigated in detail. It is shown that the proposed nanochannel provides larger rectification factors as compared to conical nanochannels over wide ranges of the fixed charge concentration and bulk ionic concentration. Such a performance can be achieved even at channel radii much larger than the tip radius of conical nanochannels, indicating not only the better performance of the proposed nanochannel but also its likely longer service life, because of reducing the probability of total ionic current blockage. This means that the proposed nanochannel could find widespread use in fluidic devices, as a replacement for conical nanofluidic diodes.
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Angew Chem Int Ed Engl
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KU Leuven, Materials engineering, Kasteelpark Arenberg 44 bus 2450, 3001 LEUVEN Belgium, LEUVEN, BELGIUM.
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View Article and Find Full Text PDFChemphyschem
January 2025
University of North Carolina, Research Computing Center, 211 Manning Drive, 27599-3420, Chapel Hill, UNITED STATES OF AMERICA.
Covalent bonding and noncovalent interactions are important chemical concepts and how to identify them has been of current interest in the literature. Within the framework of density functional theory (DFT), we recently proposed a few qualitative descriptors to categorize different types of interactions with Pauli energy and its derivatives. In this work, we expand the scope by including the quantities derived from energetic information, which were recently proposed and thoroughly investigated by us from the framework of information-theoretic approach (ITA) in DFT.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
Shandong University, School of Chemistry and Chemical Engineering, Shanda South road 27#, 250100, Jinan, CHINA.
The poor reversibility of the zinc anode caused by interfacial side reactions and dendritic growth poses significant constraints on the practical application of aqueous zinc-ion batteries. Herein, a co-solute, acesulfame potassium, with strongly polar, zincophilic guest anions is introduced into a conventional low-concentration aqueous electrolyte. This regulation enhances the electrolyte's ionic conductivity and accelerates the desolvation process of zinc ions at the electrode/electrolyte interface.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
University of Electronic Science and Technology of China, No.2006 Xiyuan Road, 611731, Chengdu, CHINA.
Li-CO2 batteries demonstrate promising prospects in terms of high-density energy storage and efficient CO2 fixation. However, their practical application is impeded by sluggish reaction kinetics and leakage of volatile and flammable organic electrolytes, especially for high temperature application scenarios, leading to large polarization and limited cycling stability. Herein, we fabricate a highly rechargeable and stable Li-CO2 battery with high temperature adaptability by employing fluorine-substituted graphdiyne (FGDY) as cathode catalysts and imidazolium-based ionic liquid as electrolyte solvents.
View Article and Find Full Text PDFJ Chromatogr A
January 2025
School of Materials and Chemistry, Southwest University of Science and Technology, Mianyang, 621010, PR China; Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang, 621900, PR China. Electronic address:
1,3,5-trinamino-2,4,6-trinitrobenzene (TATB) as an important insensitive high explosive has excellent safety performance due to strong hydrogen bonds. Ionic impurities including sulfate ions (SO), nitrate ions (NO) and chloride ions (Cl) formed during the preparation of TATB have negative effects on TATB-based explosives. However, strong hydrogen bonds result in extremely low solubility of TATB in traditional solvents, which poses a huge obstacle to extract and detect the impurities in TATB for quality control.
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