Salty water is the most abundant electrolyte aqueous mixture on Earth, however, very little is known about the NaCl-saturated solution interfacial free energy (γ_{s}). Here, we provide the first direct estimation of γ_{s} for several NaCl crystallographic planes by means of the mold integration technique, a highly efficient computational method to evaluate interfacial free energies with anisotropic crystal resolution. Making use of the JC-SPC/E model, one of the most benchmarked force fields for NaCl water solutions, we measure γ_{s} of four different crystal planes, (100), (110), (111), and (112[over ¯]) with the saturated solution at normal conditions. We find high anisotropy between the different crystal orientations with values ranging from 100 to 150 mJ m^{-2}, and the average value of the distinct planes being γ[over ¯]_{s}=137(20) mJ m^{-2}. This value for the coexistence interfacial free energy is in reasonable agreement with previous extrapolations from nucleation studies. Our Letter represents a milestone in the computational calculation of interfacial free energies between ionic crystals and aqueous solutions.
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http://dx.doi.org/10.1103/PhysRevLett.130.118001 | DOI Listing |
Soft Matter
January 2025
Department of Mathematics, National Institute of Technology Durgapur, Durgapur-713209, India.
The present article deals with the modulation of oscillatory electroosmotic flow (EOF) and solute dispersion across a nanochannel filled with an electrolyte solution surrounded by a layer of a dielectric liquid. The dielectric permittivity of the liquid layer adjacent to supporting rigid walls is taken to be lower than that of the electrolyte solution. Besides, the aforesaid liquid layer may bear additional mobile charges, , free lipid molecules, charged surfactant molecules , which in turn lead to a nonzero charge along the liquid-liquid interface.
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January 2025
MOE International Joint Laboratory of Materials Microstructure, Institute for New Energy Materials and Low Carbon Technologies, School of Materials Science and Engineering, Tianjin University of Technology, Tianjin, 300384, China.
The photocatalytic activity of lead-free perovskite heterostructures currently suffers from low efficiency due to the lack of active sites and the inadequate photogenerated carrier separation, the latter of which is hindered by slow charge transfer at the heterostructure interfaces. Herein, a facile strategy is reported for the construction of lead-free halide-perovskite-based heterostructure with swift interfacial charge transfer, achieved through direct partial conversion of 2D antimony oxybromide SbOBr to generate CsSbBr/SbOBr heterostructure. Compared to the traditional electrostatic self-assembly method, this approach endows the CsSbBr/SbOBr heterostructure with a tightly interconnected interface through in situ partial conversion, significantly accelerating interfacial charge transfer and thereby enhancing the separation efficiency of photogenerated carriers.
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January 2025
Tsinghua Shenzhen International Graduate School, Tsinghua University, Shenzhen, 518055, China.
Among direct recycling methods for spent lithium-ion batteries, solid-state regeneration is the route with minimal bottlenecks for industrial application and is highly compatible with the current industrial cathode materials production processes. However, surface structure degradation and interfacial impurities of spent cathodes significantly hinder Li replenishment during restoration. Herein, we propose a unique advanced oxidation strategy that leverages the inherent catalytic activity of spent layered cathode materials to address these challenges.
View Article and Find Full Text PDFNano Lett
January 2025
Physical Science and Engineering Division, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia.
Realizing field-free switching of perpendicular magnetization by spin-orbit torques is crucial for developing advanced magnetic memory and logic devices. However, existing methods often involve complex designs or hybrid approaches, which complicate fabrication and affect device stability and scalability. Here, we propose a novel approach using -polarized spin currents for deterministic switching of perpendicular magnetization through interfacial engineering.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Graduate Institute of Electronics Engineering, National Taiwan University, Taipei 10617, Taiwan.
Graphene-based supercapacitors have gained significant attention due to their exceptional energy storage capabilities. Despite numerous research efforts trying to improve the performance, the challenge of experimentally elucidating the nanoscale-interface molecular characteristics still needs to be tackled for device optimizations in commercial applications. To address this, we have conducted a series of experiments using substrate-free graphene field-effect transistors (SF-GFETs) and oxide-supported graphene field-effect transistors (OS-GFETs) to elucidate the graphene-electrolyte interfacial arrangement and corresponding capacitance under different surface potential states and ionic concentration environments.
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