La2O3-coated Li1.2Mn0.54Ni0.13Co0.13O2 as cathode materials with enhanced specific capacity and cycling stability for lithium-ion batteries

Zhou, Lin; Tian, Mijie; Deng, Yunlong; Zheng, Qiaoji; Xu, Cheng; Lin, Dunmin

doi:10.1016/j.ceramint.2016.07.016

Cited by 43 publications

(7 citation statements)

References 59 publications

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“…This phase is always present in lithium‐rich manganese‐based cathode materials because of the cation ordering of nickel ions, manganese ions and lithium ions in the transition metal layers [22]. The appearance of paired (006)/(102) and (018)/(110) diffraction peaks in these x‐ray diffraction patterns indicates that the as‐prepared samples have well layered structure [23]. In comparison with the patterns of Sample I, the x‐ray diffraction pattern of modified materials shows no peaks of impurities, indicating that high‐purity samples were obtained and also that sodium doping does not change the lattice structure of the original sample.…”

Section: Resultsmentioning

confidence: 94%

Enhanced electrochemical properties of sodium‐doped lithium‐rich manganese‐based cathode materials

Fang

Zhu

Hua

et al. 2021

Materialwissenschaft Werkst

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In this work, sodium has been successfully doped into the layered lithium‐rich manganese‐based cathode material through melt impregnation. The as‐prepared samples are characterized by multiple techniques of x‐ray diffraction, scanning electron microscopy, transmission electron microscopy, x‐ray photoelectron spectroscopy and the electrochemical measurements. The results show that sodium doping hardly changes the layered structure and surface morphology of pristine sample. The sample particles of sodium‐doped materials exhibit polygonal shape similar to prism. The sodium‐doped material possesses high rate performance and good cycling stability, and the initial charge and discharge capacity reaches 340.2 mA h g−1 and 249.0 mA h g−1 at a current density of 20 mA g−1, respectively. The initial coulombic efficiency of the first cycle is 73 %. After running 100 repeated cycles at 40 mA g−1 and 100 mA g−1, the discharge capacity could still be maintained at about 230.0 mA h g−1 and 220.0 mA h g−1, respectively. Moreover, the voltage attenuation is effectively suppressed during charging/discharging cycles.

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Section: Resultsmentioning

confidence: 94%

Enhanced electrochemical properties of sodium‐doped lithium‐rich manganese‐based cathode materials

Fang

Zhu

Hua

et al. 2021

Materialwissenschaft Werkst

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“…Especially for Lanthanum Oxide (La2O3), Zhou et al showed that Li1.2Mn0.54Ni0.13Co0.13O2 (LMNC) coated with 2.5 wt% La2O3 increased initial discharge capacity to 1.14x, increased capacity retention to 1.22 after 100 cycles, and enhanced rate performance from bare LMNC. However, LMNC coated with 5 wt% La2O3, while increased capacity retention and rate performance, but decreased the initial capacity rate [16].…”

Section: Introductionmentioning

confidence: 88%

“…There are many other experiments using La2O3 for cathode or anode coating [14][15][16][17][18][19][20]. In this study, we used first principles calculation to investigate the energetic aspect of how Li diffuses inside La2O3 bulk.…”

Section: Introductionmentioning

confidence: 99%

DFT study of lithium diffusion in pristine La₂O₃

Lasiman

Naufal

Anshor

et al. 2022

J. Phys.: Conf. Ser.

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Surface coating can suppress side reactions between electrode and electrolyte in Lithium-Ion Batteries (LIBs) but may also affect the Li mobility when shuttling into / out from the electrode of a LIB. Lanthanum Oxide (La2O3) coating has been experimentally shown to enhance LIB performance. In this study, we investigate the diffusion of Li in pristine La2O3 to understand the enhanced electrochemical performance of several La2O3-coated Li-ion battery cathodes. We used Density Functional Theory (DFT) with Climbing Image Nudged Elastic Band (CI-NEB) to calculate the energy barrier and the diffusivity of Li. We considered three pathways, i.e., the octahedral-to-octahedral path (O-O), octahedral-tetrahedral-octahedral path (O-T-O), and octahedral-tetrahedral-tetrahedral-octahedral path (O-T-T-O), and our results suggest that the O-O pathway has the lowest Li energy barrier of 0.09 eV. This finding suggests that Li will preferably diffuse along the [010] direction. Furthermore, we find that Li will diffuse more slowly along the [001] direction.

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“…For the case of coatings that are synthesized by spraying or wet chemistry methods, the coating usually forms into nanoparticles that are spread on the cathode surface. 34,35 In this case, Li ions do not only diffuse through the coating but may also diffuse into the electrolyte through the uncoated cathode area. For the case of more advanced deposition techniques, such as atomic layer deposition (ALD), the coating material usually encapsulates almost the whole cathode particles.…”

Section: Introductionmentioning

confidence: 99%

Enhanced Lithium Diffusivity in Reduced Cerium Oxides: A First-Principles Study

et al. 2022

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Cerium oxide is considered as a promising protective coating material for the high-energy cathode of a Li-ion battery (LIB) against surface structural degradation. However, detailed knowledge on how Li migrates in cerium oxide is still limited, which is important for further development of cerium oxide as an LIB high-energy cathode coating material. Herein, using first-principles density functional theory calculations, we investigate Li insertion and diffusion mechanisms in pristine CeO2, reduced CeO2 with oxygen vacancy, and Ce2O3 as a representative material for highly reduced cerium oxide. For two different concentrations (1:8 and 1:27 Li:Ce), we find that Li can occupy empty octahedral sites of CeO2 in either the neutral or ionized state. Li diffusion in fluorite CeO2 is isotropic to the ⟨110⟩ direction, and the energetic barrier is significantly high. An addition of O vacancy in the CeO2 fluorite structure breaks the isotropy of Li diffusion; the barrier is decreased if the vacancy is located unidirectional with the ⟨110⟩ direction, and the barrier is increased if it is in the opposite of the ⟨110⟩ direction. In the highly reduced CeO2, i.e., Ce2O3, we observe that Li can only intercalate in the ionized Li+ state. The diffusion barrier of Li+ in this structure is significantly lower compared to the previous pristine and reduced CeO2 in two different concentrations, i.e., 1:2 and 1:16 Li:Ce. This indicates that the degree of reduction highly correlates to Li diffusivity in cerium oxide. Therefore, applying a highly reduced and O-poor CeO2 coating is suggested to allow fast and nonobstructive Li diffusion.

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La2O3-coated Li1.2Mn0.54Ni0.13Co0.13O2 as cathode materials with enhanced specific capacity and cycling stability for lithium-ion batteries

Cited by 43 publications

References 59 publications

Enhanced electrochemical properties of sodium‐doped lithium‐rich manganese‐based cathode materials

Enhanced electrochemical properties of sodium‐doped lithium‐rich manganese‐based cathode materials

DFT study of lithium diffusion in pristine La₂O₃

Enhanced Lithium Diffusivity in Reduced Cerium Oxides: A First-Principles Study

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La2O3-coated Li1.2Mn0.54Ni0.13Co0.13O2 as cathode materials with enhanced specific capacity and cycling stability for lithium-ion batteries

Cited by 43 publications

References 59 publications

Enhanced electrochemical properties of sodium‐doped lithium‐rich manganese‐based cathode materials

Enhanced electrochemical properties of sodium‐doped lithium‐rich manganese‐based cathode materials

DFT study of lithium diffusion in pristine La2O3

Enhanced Lithium Diffusivity in Reduced Cerium Oxides: A First-Principles Study

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DFT study of lithium diffusion in pristine La₂O₃