In:
Journal of Materials Chemistry A, Royal Society of Chemistry (RSC), Vol. 11, No. 24 ( 2023), p. 12958-12972
Abstract:
Lithiated oxides like Li[Ni x Co y Mn z ]O 2 ( 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 LiNi 0.9 Co 0.1 O 2 (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 Mo 6+ and B 3+ 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.
Type of Medium:
Online Resource
ISSN:
2050-7488
,
2050-7496
Language:
English
Publisher:
Royal Society of Chemistry (RSC)
Publication Date:
2023
detail.hit.zdb_id:
2702232-8
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