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Two-dimensional transition metal dichalcogenides as promising anodes for potassium ion batteries from first-principles prediction

Zhang, Zixiang

Physical chemistry chemical physics. Volume 21:Issue 42 (2019); pp 23441-23446 -- Royal Society of Chemistry

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  • Title:
    Two-dimensional transition metal dichalcogenides as promising anodes for potassium ion batteries from first-principles prediction
  • Author: Zhang, Zixiang;
    Yang, Mingye;
    Zhao, Ni;
    Wang, Lu;
    Li, Youyong
  • Found In: Physical chemistry chemical physics. Volume 21:Issue 42 (2019); pp 23441-23446
  • Journal Title: Physical chemistry chemical physics
  • Subjects: Chemistry, Physical and theoretical--Periodicals; Dewey: 541.3
  • Rights: Licensed
  • Publication Details: Royal Society of Chemistry
  • Abstract:

    Two-dimensional (2D) materials are expected to be utilized as electrodes for alkali metal ion batteries due to their exceptional properties, but the larger size of K ions has been supposed to induce structural collapses and low charge–discharge efficiency. In this work, we propose transition metal dichalcogenide (TMD) materials as the anode electrodes for potassium ion batteries (PIBs). K ions can stably be adsorbed on most of the TMD materials with strong adsorption energies, and the structural phase transition from the 2H phase to the 1T phase can further enhance the K adsorption. It is surprising that, the diffusion barriers for K ions on TMD monolayers are low enough (less than 0.05 eV) to allow K ions to freely migrate. Among the TMD materials that we consider here, both VS2and TiS2exhibit extraordinary properties with good electronic conductivity, fast K diffusion, optimal open circuit voltage and high theoretical K storage capacity, which are promising anode materials for K ion batteries.


  • Identifier: System Number: ETOCvdc_100091438801.0x000001; Journal ISSN: 1463-9076; 10.1039/c9cp03948a
  • Publication Date: 2019
  • Physical Description: Electronic
  • Shelfmark(s): 6475.306000
  • UIN: ETOCvdc_100091438801.0x000001

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