Phase Evolution of Li-Rich Layered Li-Mn-Ni-(Al)-O Cathode Materials upon Heat Treatments in Air

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Autori principali: Grins, Jekabs, Jaworski, Aleksander, Olav Josang, Leif, Jacas Biendicho, Jordi, Svensson, Gunnar
Natura: Recurso digital
Pubblicazione: Zenodo 2025
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author Grins, Jekabs
Jaworski, Aleksander
Olav Josang, Leif
Jacas Biendicho, Jordi
Svensson, Gunnar
author_facet Grins, Jekabs
Jaworski, Aleksander
Olav Josang, Leif
Jacas Biendicho, Jordi
Svensson, Gunnar
contents <p>The phase evolution of Li-rich Li-Mn-Ni-(Al)-O cathode materials upon heat treatments in the air at 900 °C was studied by X-ray and neutron powder diffraction. In addition, the structures of Li<sub>1.26</sub>Mn<sub>0.61−x</sub>Al<sub>x</sub> Ni<sub>0.15</sub>O<sub>2</sub>, x = 0.0, 0.05, and 0.10, were refined from neutron powder diffraction data. For two-phase mixtures containing a monoclinic Li<sub>2</sub>MnO<sub>3</sub> type phase M and a rhombohedral LiMn<sub>0.5</sub>Ni<sub>0.5</sub>O<sub>2</sub> type phase R, the structures, compositions, and phase fractions change with heat treatment time. This is realized by the substitution mechanism 3Ni<sup>2+</sup> ↔ 2Li<sup>+</sup> + 1Mn<sup>4+</sup>, which enables cation transport between the phases. A whole-powder pattern fitting analysis of size and strain broadening shows that strain broadening dominates. The X-ray domain size increases with heat treatment time and is larger than the sizes of the domains of M and R observed by electron microscopy. For heat-treated samples, the domain size is smaller for R than for M and decreases with increasing Al doping.</p>
format Recurso digital
id zenodo_https___doi_org_10_5281_zenodo_15230340
institution Zenodo
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publishDate 2025
publisher Zenodo
record_format zenodo
spellingShingle Phase Evolution of Li-Rich Layered Li-Mn-Ni-(Al)-O Cathode Materials upon Heat Treatments in Air
Grins, Jekabs
Jaworski, Aleksander
Olav Josang, Leif
Jacas Biendicho, Jordi
Svensson, Gunnar
<p>The phase evolution of Li-rich Li-Mn-Ni-(Al)-O cathode materials upon heat treatments in the air at 900 °C was studied by X-ray and neutron powder diffraction. In addition, the structures of Li<sub>1.26</sub>Mn<sub>0.61−x</sub>Al<sub>x</sub> Ni<sub>0.15</sub>O<sub>2</sub>, x = 0.0, 0.05, and 0.10, were refined from neutron powder diffraction data. For two-phase mixtures containing a monoclinic Li<sub>2</sub>MnO<sub>3</sub> type phase M and a rhombohedral LiMn<sub>0.5</sub>Ni<sub>0.5</sub>O<sub>2</sub> type phase R, the structures, compositions, and phase fractions change with heat treatment time. This is realized by the substitution mechanism 3Ni<sup>2+</sup> ↔ 2Li<sup>+</sup> + 1Mn<sup>4+</sup>, which enables cation transport between the phases. A whole-powder pattern fitting analysis of size and strain broadening shows that strain broadening dominates. The X-ray domain size increases with heat treatment time and is larger than the sizes of the domains of M and R observed by electron microscopy. For heat-treated samples, the domain size is smaller for R than for M and decreases with increasing Al doping.</p>
title Phase Evolution of Li-Rich Layered Li-Mn-Ni-(Al)-O Cathode Materials upon Heat Treatments in Air
url https://doi.org/10.5281/zenodo.15230340