Stabilizing Ni-rich high energy cathodes for advanced lithium-ion batteries: the case of LiNi0.9Co0.1O2

Francis Amalraj Susai, Amreen Bano, Sandipan Maiti, Judith Grinblat, Arup Chakraborty, Hadar Sclar, Tatyana Kravchuk, Aleksandr Kondrakov, Maria Tkachev, Michael Talianker, Dan Thomas Major, Boris Markovsky, Doron Aurbach

Research output: Contribution to journalArticlepeer-review

14 Scopus citations


Lithiated oxides like Li[NixCoyMnz]O2 (x + y + z = 1) with high nickel content (x ≥ 0.8) can possess high specific capacity ≥200 mA h g−1 and have attracted extensive attention as perspective cathode materials for advanced lithium-ion batteries. In this work, we synthesized LiNi0.9Co0.1O2 (NC90) materials and studied their structural characteristics, electrochemical performance, and thermal behavior in Li-cells. We developed modified cationic-doped NC90 samples with greatly improved properties due to doping with Mo6+ and B3+ and dual doping via simultaneous modification with these dopants. The main results of the current study are significantly higher capacity retention, greatly reduced voltage hysteresis, and considerably decreased charge-transfer resistance of the Mo and Mo-B doped electrodes compared to the undoped ones upon prolonged cycling. We also revealed remarkable microstructural stability of the Mo-doped electrodes, whereas the undoped samples were unstable and exhibited networks of cracks developed upon cycling. Using density functional theory, we modeled the electronic structure of the undoped, Mo, B single-doped, and Mo-B dual-doped samples and established that the Ni-site is preferred over Co and Li sites. Additionally, density functional theory-based bonding strength calculations suggest that the dopants form strong bonds with oxygen, possibly reducing oxygen release from the cathode. An important finding is that B-dopant tends to segregate to the surface of NC90 similarly to that in NCM85 materials, as shown in our previous reports. In conclusion, this study presents a general approach for effectively stabilizing high-energy Ni-rich layered cathodes charged up to 4.3 V.

Original languageEnglish
Pages (from-to)12958-12972
Number of pages15
JournalJournal of Materials Chemistry A
Issue number24
StatePublished - 21 Mar 2023

ASJC Scopus subject areas

  • General Chemistry
  • Renewable Energy, Sustainability and the Environment
  • General Materials Science


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