Multiple-ion-doped lithium nickel oxides as cathode materials for lithium-ion batteries

Wang, Guoxiu; Bewlay, Steve; Yao, Jane; Chen, Y.; Guo, Zaiping; Liu, Huan; Dou, Shi Xue

doi:10.1016/s0378-7753(03)00177-0

Cited by 23 publications

(10 citation statements)

References 15 publications

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“…Li-ion batteries (LIB) are the most popular source for different modern portable electronic devices. [6][7][8] Lithium silicate glass was found to be usable as fast-ionic conductor even at low temperatures, because of its high mechanical strength and chemical stability. [9] It could be used for ceramic-metal sealing and for dental restoration.…”

Section: Introductionmentioning

confidence: 99%

Role of Sulfur as a Reducing Agent for the Transition Metals Incorporated into Lithium Silicate Glass

Hassaan¹,

El‐Desoky²,

Moustafa³

et al. 2015

Croat. Chem. Acta

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Li2O·0.25Fe2O3·0.25NiO·1.5SiO2 glass was prepared with and without 5 wt % sulfur (S) while melting the mixture of the starting materials at 1350 C for 1 h in air. A part of the as-prepared glass was heat treated for 1 h near its crystallization temperature (Tc) as determined from differential thermal analysis. Each glass was also investigated by means of Mössbauer spectroscopy, X-ray diffraction, FTIR, and DC conductivity. The Mössbauer spectra showed ionic Fe 2+ and Fe 3+ species in the glass as well as in the precipitated phase obtained after heat treatment. XRD patterns demonstrated the glassy phase formation in the as-quenched samples irrespective of the presence of sulfur. The heat treated samples showed different precipitated phases containing iron particles of nanometer size. The electric conductivity measurements showed that sulfur-doped samples had high values of () probably because of small polaron hopping between Fe 2+ and Fe 3+ .

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Section: Introductionmentioning

confidence: 99%

Role of Sulfur as a Reducing Agent for the Transition Metals Incorporated into Lithium Silicate Glass

Hassaan¹,

El‐Desoky²,

Moustafa³

et al. 2015

Croat. Chem. Acta

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“…Wang et al [242] Spray-drying method LiMn 0. Initially capacity was 140-180 mAh g À1 with discharge voltage was less than LiCoO 2 .…”

Section: Researchers Synthesis Methods Composition Conclusionmentioning

confidence: 99%

Recent Advances in Enhanced Performance of Ni‐Rich Cathode Materials for Li‐Ion Batteries: A Review

et al. 2022

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High energy Li‐ion batteries (LIBs) have garnered substantial consideration in recent years for their utilization in many fields like communication, transportation, and aviation. As the cathode is the crucial component of LIBs, so by enhancing its electrochemical performance, the capacity, rate capability, as well as cyclability of batteries can be enhanced. Ni‐rich cathode materials (LiNi x Mn y Co1−x−y O2, x ≥ 0.5) have been accredited for their benefits in enhanced capacity, high working voltage, and low manufacturing cost. The high Ni content is accountable for the exceptional capacity but the utilization in the commercialized LIBs is mired by their electrochemical cycling issues like capacity fading, voltage decay, and safety hazard. To overcome these obstructions, a variety of methodologies have been adopted like doping, coating, and comodification of these cathode materials. An inclusive study of Ni‐rich cathode materials, their degradation mechanism, and the strategies is conferred, which have been employed in recent years to overcome the challenges faced by these materials in their commercialization.

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“…Recently, lithiated transition metal (TM) oxides of the form Li x [Ni a Mn b Co c ]O 2 , where a, b, c are fractions of Ni, Mn, and Co respectively (a + b + c = 1), known as NMCs, have emerged as a promising family of cathode materials for LIBs. [3][4][5][6][7][8][9][10][11][12] The demand for high energy density materials has led to extensive research efforts to discover novel NMC compositions and to optimise their electrochemical performance. A particular focus has been to identify materials with high nickel content (so-called "Ni-rich" NMC materials (a > 0.5) 3,[6][7][8]10,[13][14][15] ) as they can provide higher specific capacity within the same voltage window and decrease dependence on scarce, geographically-concentrated, and costly cobalt.…”

Section: Introductionmentioning

confidence: 99%

The stability and redox mechanisms of Ni-rich NMC cathodes: Insights from first-principles many-body calculations

Banerjee,

Grey,

Morris

2024

Preprint

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Ni-rich LiNi_aMn_bCo_cO_2 (NMC) cathodes undergo a series of degradation reactions, a prominent one being oxygen loss from the surface of the NMC particles, this process being more pronounced as Ni content is increased and at high voltages. Our first-principles study examines the redox behavior of transition metals and O in Ni-rich NMC cathodes as a function of (de)lithiation. We use ab initio multiple scattering, density-functional theory (DFT) based core-loss spectroscopy, and dynamical mean-field theory (DMFT) to give a many-body treatment of both dynamic and static correlations. Despite Ni, Mn, and Co K-edges calculated using ab initio multiple scattering based on Green's functions showing an excellent match with experimentally obtained X-ray absorption near-edge spectra (XANES), we demonstrate that the ionic model of ascribing shifts in the XANES spectra to changes in metal oxidation states is inappropriate. We show that in these cases, which are characterised by strong covalency between the transition metal and oxygen, DMFT calculations based on Wannier projections are essential to calculate charges and hence assign oxidation states accurately. Due to the corresponding charge transfer from O p to Ni d, a ligand hole forms on O in Ni-rich regions. The individual Ni charge remains fairly constant throughout the charging/discharging process, particularly in Ni-rich environments in the material. In contrast, O has dual redox behavior, showing greater involvement in redox in Ni-rich regions while showing negligible redox involvement in Ni-poor regions. The Ni-O covalent system starts participating in redox around a state of delithiation of ~17%, which represents, in our system, the beginning of charge. Contrary to previous DFT calculations, we show that Co oxidation does not occur at the very end of charge but rather starts at an earlier state of delithiation of ~67%. The dual behaviour of O in terms of participation in the redox process helps explain the overall higher relative stability of lower Ni content NMCs compared to Ni-rich NMCs or LiNiO_2 in terms of O loss and evolution of singlet oxygen.

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Multiple-ion-doped lithium nickel oxides as cathode materials for lithium-ion batteries

Cited by 23 publications

References 15 publications

Role of Sulfur as a Reducing Agent for the Transition Metals Incorporated into Lithium Silicate Glass

Role of Sulfur as a Reducing Agent for the Transition Metals Incorporated into Lithium Silicate Glass

Recent Advances in Enhanced Performance of Ni‐Rich Cathode Materials for Li‐Ion Batteries: A Review

The stability and redox mechanisms of Ni-rich NMC cathodes: Insights from first-principles many-body calculations

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