The growing market for sodium-ion batteries has stimulated interest in research on Prussian blue-type cathode materials. Iron hexacyanoferrate (FeHCF) is considered a desirable Prussian blue-type cathode, but the incomplete electrochemical property of its low-spin iron sites hinders its further practical application. In this paper, carboxymethyl cellulose is demonstrated to have an appropriate binding energy through DFT calculations, synthesize Prussian blue in situ, balance Fe and water in FeHCF, and introduce Fe vacancies to activate low-spin Fe sites. Thus, at a 1 C rate, it achieves an initial discharge capacity of 154.7 mAh g with an energy density of 470.8 Wh kg. The capacity retention is 70.2% after 4000 cycles at a rate of 100 C. This work provides a simpler way to develop more cost-effective, faster, and more durable cathode materials for sodium-ion energy storage.
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http://dx.doi.org/10.1021/acs.nanolett.4c03985 | DOI Listing |
Nano Lett
January 2025
Key Laboratory of Advanced Structural Materials, Ministry of Education, and School of Materials Science and Engineering, Changchun University of Technology, Changchun 130012, China.
The growing market for sodium-ion batteries has stimulated interest in research on Prussian blue-type cathode materials. Iron hexacyanoferrate (FeHCF) is considered a desirable Prussian blue-type cathode, but the incomplete electrochemical property of its low-spin iron sites hinders its further practical application. In this paper, carboxymethyl cellulose is demonstrated to have an appropriate binding energy through DFT calculations, synthesize Prussian blue in situ, balance Fe and water in FeHCF, and introduce Fe vacancies to activate low-spin Fe sites.
View Article and Find Full Text PDFR Soc Open Sci
January 2025
Department of Industrial Chemistry, College of Natural and Applied Sciences, Addis Ababa Science and Technology University, PO Box 16417, Addis Ababa, Ethiopia.
The asymmetric Schiff base prepared from ethylenediamine and pyridine-2-carboxaldehyde reacts with Fe(ClO)·6HO to form the Fe(II) complex [FeL](ClO) with L = ,-diethyl-'-(pyridin-2-yl)methylene)ethane-1,2-diamine, where the Fe(III) starting material has been unexpectedly reduced to Fe(II). This complex was characterized by elemental analysis, infrared spectra, single crystal and powder X-ray diffraction measurements, variable temperature DC magnetic measurement and room temperature Mössbauer spectroscopy. The asymmetric ligand L coordinates in a tridentate fashion through its pyridyl, azomethine and amino nitrogen atoms, generating a distorted octahedral geometry around the central metal ion.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
School of Chemical Sciences, Indian Association for the Cultivation of Science, 2A Raja SC Mullick Road, Kolkata, West Bengal 700032, India.
Designing catalysts for the selective reduction of CO, resulting in products having commercial value, is an important area of contemporary research. Several molecular catalysts have been reported to facilitate the reduction of CO (both electrochemical and photochemical) to yield 2e/2H electron-reduced products, CO and HCOOH, and selective reduction of CO beyond 2e/2H is rare. This is partly because the factors that control the selectivity of CO reduction beyond 2e are not yet understood.
View Article and Find Full Text PDFChemistry
December 2024
Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1a, 52074, Aachen, Germany.
In this study, we present the first experimental determination of the spin state of transition metal complexes by using Hirshfeld Atom Refinement. For the demonstration, the two iron(II) complexes, (NH)Fe(SO) ⋅ 6 HO and lFe(pic)jCl ⋅ EtOH were investigated. The method involves the refinement using wavefunctions of different spin multiplicity and comparison against experimental diffraction data by means of refinement indicators and residual electron density.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
December 2024
School of Chemistry, University of Leeds, Woodhouse Lane, Leeds, UK, LS2 9JT.
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