High-Energy Ni-Rich LiNi0.85Co0.1Mn0.05O2Cathode Material for Li-Ion Batteries Enhanced by Nd- and Y-Doping. A Structural, Electrochemical, and Thermal Investigation

Yehonatan Levartovsky, Arup Chakraborty, Sooraj Kunnikuruvan, Sandipan Maiti, Judith Grinblat, Michael Talianker, Doron Aurbach, Dan Thomas Major

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5 Scopus citations

Abstract

Ni-rich LiNi1-x-yCoxMnyO2(1 - x - y > 0.5) (NCMs) cathode materials have shown great promise in energy-intensive applications, such as electric vehicles. However, as many layered cathodes do, they suffer from structural and electrochemical degradation during cycling. In this study, we show that Nd- and Y-doped materials, Li(Ni0.85Co0.1Mn0.05)0.995Nd0.005O2and Li(Ni0.85Co0.1Mn0.05)0.995Y0.005O2, have significantly better structural, electrochemical, and thermal properties compared to the reference LiNi0.85Co0.1Mn0.05O2(NCM85) due to enhanced structural stability. The doped electrodes were found to have significantly higher specific discharge capacities, better capacity retention, and lower voltage hysteresis compared to the reference (undoped) electrodes. SEM images of the focused-ion beam (FIB) cut of the particles of the doped material showed that they have less cracks when compared with those of the reference material, thus demonstrating the tight connection between the structural and electrochemical properties of the cathodes. Furthermore, thermal studies of the cathode materials showed that doping with Nd or Y enhances the thermal stability of NCM85 compared to the reference material. Finally, using density functional theory we calculated several electronic and thermodynamic properties. These calculations suggest that dopant-oxygen bonds are stronger than M-oxygen bonds (M = Ni, Co, Mn), providing a rationale for the structural stability induced by Nd- and Y-doping.

Original languageEnglish
Pages (from-to)11142-11151
Number of pages10
JournalACS Applied Energy Materials
Volume5
Issue number9
DOIs
StatePublished - 26 Sep 2022

Bibliographical note

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© 2022 American Chemical Society. All rights reserved.

Keywords

  • DFT calculations
  • Li-ion batteries
  • LiNiCoMnO
  • Nd-doping
  • Ni-rich cathode materials
  • Y-doping
  • cathode doping

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