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

Cesario Ajpi, Naviana Leiva, Max Vargas, Anders Lundblad, Göran Lindbergh, Saul Cabrera

Research output: Contribution to journalArticlepeer-review

Abstract

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.

Original languageEnglish
Article number133316
JournalJournal of Molecular Structure
Volume1265
DOIs
StatePublished - 5 Oct 2022

Bibliographical note

Funding Information:
This work is dedicated to the late Prof. Saul Cabrera. This work was supported by the SIDA (Swedish International Development Agency), KTH Royal Institute of Technology, UMSA (Universidad Mayor de San Andres) in collaboration with IIQ (Chemical Research Institute), Department of Inorganic Chemistry and Materials Science/Advanced Materials. The authors would also like to thank Alexander J. Smith for helping to improve the language of the article.

Funding Information:
Funding for this research was provided by: SIDA (Swedish International Development Agency); KTH Royal Institute of Technology, Department of Chemical Engineering, Applied Electrochemistry; UMSA Universidad Mayor de San Andres, Department of Inorganic Chemistry and Materials Science/Advanced Materials, IIQ Chemical Research Institute.

Publisher Copyright:
© 2022 The Authors

Keywords

  • Lithium-ion batteries
  • Materials
  • Metal coordination networks
  • Structure

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