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Synthesis and spectroscopic characterization of NiII coordination network: Poly-[tris(µ4-Benzene-1,4-dicarboxylato)-tetrakis(µ1-dimethylformamide-κ1O)-trinickel(II)] as material for lithium ion batteries
UMSA Universidad Mayor de San Andres, Bolivia; KTH Royal Institute of Technology, Sweden.
UMSA Universidad Mayor de San Andres, Bolivia.
UMSA Universidad Mayor de San Andres, Bolivia.
RISE Research Institutes of Sweden, Safety and Transport, Electrification and Reliability.ORCID iD: 0000-0002-1226-0788
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2022 (English)In: Journal of Molecular Structure, ISSN 0022-2860, E-ISSN 1872-8014, Vol. 1265, article id 133316Article in journal (Refereed) Published
Abstract [en]

The compound Ni3(C8H4O4)3(C3H7NO)3, poly-[tris(µ4-Benzene-1,4-dicarboxylato)-tetrakis(µ1-dimethylformamide-κ1O)-trinickel(II)], was synthesized by the solvothermal method prepared via reaction between NiCl2•6H2O and terephthalic acid using N,N-dimethylformamide (DMF) as solvent. The structure was characterized by powder X-ray diffraction and infrared spectroscopy analyses. The electrochemical properties as a potential active material in lithium-ion batteries were characterized by electrochemical impedance spectroscopy and galvanostatic charge-discharge curves in a battery half-cell. The characterization results show that the coordination network contains one independent structure in the asymmetric unit. It is constructed from Ni2+ ions, terephthalate bridges and in-situ-generated DMF ligands, forming two similar two-dimensional (2D) layer structures. These similar 2D layers are in an alternating arrangement and are linked with each other by dense H—H interactions (45%) to generate a three-dimensional (3D) supramolecular framework with ordered and disordered DMF molecules. The electrochemical measurements, conducted in the potential range of 0.5–3.5 V vs Li/Li+, show that Ni3(C8H4O4)3(C3H7NO)4 has good electrochemical properties and can work as anode in lithium-ion batteries. The material presents an initial specific capacity of ∼420 mAh g−1, which drops during consecutive scans but stabilizes at ∼50 mAh g−1. However, due to the wide potential range there are indications of a gradual collapse of the structure. The electrochemical impedance spectroscopy shows an increase of charge transfer resistance from 24 to 1190 Ohms after cycling likely due to this collapse.

Place, publisher, year, edition, pages
Elsevier B.V. , 2022. Vol. 1265, article id 133316
Keywords [en]
Lithium-ion batteries, Materials, Metal coordination networks, Structure, Benzene, Charge transfer, Coordination reactions, Dimethylformamide, Electric discharges, Electrochemical impedance spectroscopy, Electrochemical properties, Infrared spectroscopy, Ions, Nickel compounds, Organic solvents, Coordination networks, Electrochemical-impedance spectroscopies, Metal coordination, Metal coordination network, Potential range, Solvothermal method, Spectroscopic characterization, Synthesised, Terephthalic acids, Tetrakis
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:ri:diva-59761DOI: 10.1016/j.molstruc.2022.133316Scopus ID: 2-s2.0-85131459127OAI: oai:DiVA.org:ri-59761DiVA, id: diva2:1682213
Available from: 2022-07-08 Created: 2022-07-08 Last updated: 2022-08-10Bibliographically approved

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Lundblad, Anders Olof

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