Non-isothermal reaction mechanism and kinetic analysis for the synthesis of monoclinic lithium zirconate (m-Li2ZrO3) during solid-state reaction

Gaviría, Juan P.; Conconi, María Susana; Visintín, Arnaldo; Suárez, Gustavo

doi:10.1186/s40543-021-00267-5

Cited by 14 publications

(3 citation statements)

References 37 publications

(73 reference statements)

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“…Although the latter polymorph was characterized by Quintana et al 28 at temperatures above 1100 °C, this metastable symmetry can also exist at temperatures below 800 °C. 29 , 30 The former extra phase belongs to the C /2 m space group ( a = 5.42401 Å, b = 9.02166 Å, c = 5.42021 Å and β = 112.59°) and the latter to the I 4/ amd space group ( a = 4.25582 Å, c = 9.01793 Å). 28 However, we were not able to index the phase of the two peaks present for the 5%-Zr-ss sample at 2.142 and 2.363 Å –1 .…”

Section: Results and Discussionmentioning

confidence: 99%

Comprehensive Study of Zr-Doped Ni-Rich Cathode Materials Upon Lithiation and Co-Precipitation Synthesis Steps

Colalongo,

Ali,

Martens

et al. 2024

ACS Appl. Mater. Interfaces

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Ni-rich layered oxides LiNi1–x–y Mn x Co y O2 (NMC811, x = 0.1 and y = 0.1) are considered promising cathode materials in lithium-ion batteries (LiBs) due to their high energy density. However, those suffer a severe capacity loss upon cycling at high delithiated states. The loss of performance over time can be retarded by Zr doping. Herein, a small amount of Zr is added to NMC811 material via two alternative pathways: during the formation of the transition metal (TM) hydroxide precursor at the co-precipitation step (0.1%-Zr-cp) and during the lithiation at the solid-state synthesis step (0.1%-Zr-ss). In this work, the crystallographic Zr uptake in both 0.1%-Zr-ss and 0.1%-Zr-cp is determined and quantified through synchrotron X-ray diffraction and X-ray absorption spectroscopy. We prove that the inclusion of Zr in the TM site for 0.1%-Zr-cp leads to an improvement of both specific capacity (156 vs 149 mAh/g) and capacity retention (85 vs 82%) upon 100 cycles compared to 0.1%-Zr-ss where the Zr does not diffuse into the active material and forms only an extra phase separated from the NMC811 particles.

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Section: Results and Discussionmentioning

confidence: 99%

Comprehensive Study of Zr-Doped Ni-Rich Cathode Materials Upon Lithiation and Co-Precipitation Synthesis Steps

Colalongo,

Ali,

Martens

et al. 2024

ACS Appl. Mater. Interfaces

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“…Therefore, there is no need to worry that the recognition of the effect of heat transfer, including thermal inertia, will hamper the already published kinetic results, which is also a matter of concern for those who try to denigrate thermal inertia. On the other hand, there rises a necessity to appreciate and incorporate in the future such studies that have already addressed the issues of transfer and incorporated their impact into their conclusions as shown in various papers [73][74][75][76][77][78][79][80][81]. It would be good to think about them and incorporate their different approaches to the analysis of classical thermo-analytical kinetics.…”

Section: Discussionmentioning

confidence: 99%

“…Thermo-analytical methods that actually deal with heat transfer and the inclusion and description of this transfer in the standard thermo-analytical literature are so far mostly absent. The articles describing the transfer imbalance due to heating are sporadic [77][78][79][80][81], as also are discussions on the correct determination and interpretation of thermo-analytically off-equilibrium temperature [45]. Therefore, a rather more detailed depiction and transfer of the thermal problem to the pages of journals is required that directly deals with heat transfer [31,53,79,80]; this has still been lacking in traditional thermo-analytical journals and so we gladly welcomed the new thermo-journal attitude [84].…”

Section: Discussionmentioning

confidence: 99%

Dynamic Character of Thermal Analysis Where Thermal Inertia Is a Real and Not Negligible Effect Influencing the Evaluation of Non-Isothermal Kinetics: A Review

Šesták

2021

Thermo

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The development of instrumentation has allowed thermal analysis to become a widely used method not only in calorimetry but also in the field of non-isothermal kinetics that, however, provides a simplified philosophy of measurements. From the beginning, a methodology is used describing the course of reaction in a simplified temperature regime measured in an inert sample. In a most common case of DTA, the degree of reaction is subtracted from the partial areas of the as-cast peak in the unified mode of the peak linear background. Usually, the effect of thermal inertia, resulting from the reality of heat transfer and changing the peak background to a non-linear s-shaped form, is not incorporated. Therefore, the question of whether or not to include this effect of thermal inertia has become a current underlying problem of thermo-analytical kinetics. The analysis of the rectangular input heat pulses and their DTA responding fundamentally point to the need to include it thus becoming essential and not negligible. In the case of parallel evaluations, the effect of inertia can be partially compensated for each other such as in the Kissinger evaluation method. The study presents a broad overview of the thermo-analytical methodology used and points to the often-neglected literature. However, standard mainstream kinetics procedures need be fixed, and an improved solution found to account for the effect of heat transfer and dissipation, which is becoming the focus of thermal analysis methods of future and also the intention of this review.

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Ferroelectric/Ferroelastoelectric Materials

Baslayici,

Bugdayci

2024

Ferroic Materials‐Based Technologies

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Non-isothermal reaction mechanism and kinetic analysis for the synthesis of monoclinic lithium zirconate (m-Li2ZrO3) during solid-state reaction

Cited by 14 publications

References 37 publications

Comprehensive Study of Zr-Doped Ni-Rich Cathode Materials Upon Lithiation and Co-Precipitation Synthesis Steps

Comprehensive Study of Zr-Doped Ni-Rich Cathode Materials Upon Lithiation and Co-Precipitation Synthesis Steps

Dynamic Character of Thermal Analysis Where Thermal Inertia Is a Real and Not Negligible Effect Influencing the Evaluation of Non-Isothermal Kinetics: A Review

Ferroelectric/Ferroelastoelectric Materials

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