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Sodium Ion Diffusion Behavior in Multiple Open/Closed Pore Ratios of Novel β-Cyclodextrin-Derived Hard Carbon Anode Materials.
Nano Lett
January 2025
Advanced Energy Storage Technology and Equipment Research Institute, Ningbo University, Ningbo, Zhejiang 315211, China.
Plateau-dominated hard carbon with a high rate of performance is challenging to obtain, and the in-depth mechanism of pore structure on the diffusion of sodium ions remains unclear. In this study, a facile liquid-phase molecular reconstruction strategy is proposed to regulate the orientation of the β-cyclodextrin molecules and prepare spherical hard carbon with continuous and ordered pore channels. Through detailed characterization, this approach is confirmed to optimize the accumulation of Na in the dispersion region, thus improving the plateau kinetics and enhancing the utilization of closed pores.
View Article and Find Full Text PDFMolecular conductance calculations of single-molecule junctions using projection-based density functional embedding.
J Chem Phys
January 2025
Laboratory of Theoretical Chemistry, Institute of Chemistry, ELTE Eötvös Loránd University, Pázmány Péter sétány 1/A, Budapest H-1117, Hungary.
Single-Molecule Junctions (SMJs) are key platforms for the exploration of electron transport at the molecular scale. In this study, we present a method that employs different exchange-correlation density functionals for the molecule and the lead domains in an SMJ, enabling the selection of the optimal one for each part. This is accomplished using a formally exact projection-based density-functional theory (DFT-in-DFT) embedding technique combined with the non-equilibrium Green's function method to predict zero-bias conductance.
View Article and Find Full Text PDFNext-Generation Point-of-Care Diagnostics: Silver Nanoparticle-Enhanced 3D-Printed Multiplex Electrochemical Biosensor for Detecting Dengue and Chikungunya Viruses.
ACS Appl Bio Mater
January 2025
Department of Biotechnology, School of Chemical and Life Sciences, Jamia Hamdard, Hamdard Nagar, New Delhi 110062, India.
In recent years, the increasing prevalence of viral infections such as dengue (DENV) and chikungunya (CHIKV) has emphasized the vital need for new diagnostic techniques that are not only quick and inexpensive but also suitable for point-of-care and home usage. Existing diagnostic procedures, while useful, sometimes have limits in terms of speed, mobility, and price, particularly in resource-constrained environments and during epidemics. To address these issues, this study proposes a novel technique that combines 3D printing technology with electrochemical biosensors to provide a highly sensitive, user-friendly, and customizable diagnostic platform.
View Article and Find Full Text PDFTemperature-Dependent Formation of Carbon Nanodomains in Silicon Oxycarbide Glass-A Reactive Force Field MD Study.
J Phys Chem C Nanomater Interfaces
January 2025
Institute of General, Inorganic and Theoretical Chemistry Center for Chemistry and Biomedicine, University of Innsbruck, Innrain 80-82, A-6020 Innsbruck, Austria.
Novel anode materials for lithium-ion batteries (LIBs) are constantly being explored to further improve battery performance. In this work, ReaxFF molecular dynamics (MD) simulations are performed to model the early stages in the synthesis of nanostructured silicon carbide (SiC), which is one such promising material. The focus lies on its precursor, silicon oxycarbide glass of composition (SiOC) (17 mol% Si, 28 mol% O, and 54 mol% C), in the following referred to as SiOC.
View Article and Find Full Text PDFDoes fragmented sleep mediate the relationship between deficits in sleep spindles and memory consolidation in schizophrenia?
Sleep Adv
December 2024
Department of Psychiatry, Massachusetts General Hospital, Harvard Medical School, Boston, MA, USA.
Study Objectives: Sleep spindles, defining electroencephalographic oscillations of nonrapid eye movement (NREM) stage 2 sleep (N2), mediate sleep-dependent memory consolidation (SDMC). Spindles are also thought to protect sleep continuity by suppressing thalamocortical sensory relay. Schizophrenia is characterized by spindle deficits and a correlated reduction of SDMC.
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