Rational analysis applied to calculate the unknown stoichiometry of Li-ternary oxides blended to Li-mono oxides in cathode material mixtures

Lucas Evangelista Sita; Stephany Pires da Silva; Caroline Santana dos Santos; Paulo Sergio Parreira; Jair Scarminio

doi:10.1016/j.jallcom.2021.160230

Rational analysis applied to calculate the unknown stoichiometry of Li-ternary oxides blended to Li-mono oxides in cathode material mixtures

Lucas Evangelista Sita
, Stephany Pires da Silva
, Caroline Santana dos Santos
, Paulo Sergio Parreira
, Jair Scarminio^*

^*Corresponding author for this work

Metallurgy and Materials

Research output: Contribution to journal › Article › peer-review

Abstract

In this study, a method to calculate the unknown stoichiometry of a LiCo_xNi_yMn_zO₂ ternary oxide present in a cathode material mixture of Li-ion batteries is proposed. X-ray diffraction (XRD) and fluorescence (XRF) data were employed in a set of linear equations established by a rational analysis based on the relative weights and concentrations of the compounds and elements present in the mixture. The method was validated on a previously prepared LiCo_0.22Ni_0.51Mn_0.27O₂ and LiCoO₂ mixture (in a 4:1 mass ratio) and applied to three other mixtures composed of a LiCo_xNi_yMn_zO₂ and Co and Mn Li-mono oxides. Measured X-ray diffraction patterns, simulated by Rietveld refinements, and crystallographic parameters are provided in detail for all mixtures. The method's applicability to other mixtures than the Li-ternary and Li-mono oxides here presented are suggested, showing its enlarged scope.

Original language	English
Article number	160230
Number of pages	8
Journal	Journal of Alloys and Compounds
Volume	877
Early online date	6 May 2021
DOIs	https://doi.org/10.1016/j.jallcom.2021.160230
Publication status	Published - 5 Oct 2021

Bibliographical note

Publisher Copyright:
© 2021 Elsevier B.V.

Keywords

Cathode material
Li-ion battery
Mixtures
Rational analysis
Stoichiometry
XRD and XRF

ASJC Scopus subject areas

Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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Cite this

@article{e82e73ec135848b8834dfc272338384c,

title = "Rational analysis applied to calculate the unknown stoichiometry of Li-ternary oxides blended to Li-mono oxides in cathode material mixtures",

abstract = "In this study, a method to calculate the unknown stoichiometry of a LiCoxNiyMnzO2 ternary oxide present in a cathode material mixture of Li-ion batteries is proposed. X-ray diffraction (XRD) and fluorescence (XRF) data were employed in a set of linear equations established by a rational analysis based on the relative weights and concentrations of the compounds and elements present in the mixture. The method was validated on a previously prepared LiCo0.22Ni0.51Mn0.27O2 and LiCoO2 mixture (in a 4:1 mass ratio) and applied to three other mixtures composed of a LiCoxNiyMnzO2 and Co and Mn Li-mono oxides. Measured X-ray diffraction patterns, simulated by Rietveld refinements, and crystallographic parameters are provided in detail for all mixtures. The method's applicability to other mixtures than the Li-ternary and Li-mono oxides here presented are suggested, showing its enlarged scope.",

keywords = "Cathode material, Li-ion battery, Mixtures, Rational analysis, Stoichiometry, XRD and XRF",

author = "Sita, \{Lucas Evangelista\} and \{da Silva\}, \{Stephany Pires\} and \{dos Santos\}, \{Caroline Santana\} and Parreira, \{Paulo Sergio\} and Jair Scarminio",

note = "Publisher Copyright: {\textcopyright} 2021 Elsevier B.V.",

year = "2021",

month = oct,

day = "5",

doi = "10.1016/j.jallcom.2021.160230",

language = "English",

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T1 - Rational analysis applied to calculate the unknown stoichiometry of Li-ternary oxides blended to Li-mono oxides in cathode material mixtures

AU - Sita, Lucas Evangelista

AU - da Silva, Stephany Pires

AU - dos Santos, Caroline Santana

AU - Parreira, Paulo Sergio

AU - Scarminio, Jair

PY - 2021/10/5

Y1 - 2021/10/5

N2 - In this study, a method to calculate the unknown stoichiometry of a LiCoxNiyMnzO2 ternary oxide present in a cathode material mixture of Li-ion batteries is proposed. X-ray diffraction (XRD) and fluorescence (XRF) data were employed in a set of linear equations established by a rational analysis based on the relative weights and concentrations of the compounds and elements present in the mixture. The method was validated on a previously prepared LiCo0.22Ni0.51Mn0.27O2 and LiCoO2 mixture (in a 4:1 mass ratio) and applied to three other mixtures composed of a LiCoxNiyMnzO2 and Co and Mn Li-mono oxides. Measured X-ray diffraction patterns, simulated by Rietveld refinements, and crystallographic parameters are provided in detail for all mixtures. The method's applicability to other mixtures than the Li-ternary and Li-mono oxides here presented are suggested, showing its enlarged scope.

AB - In this study, a method to calculate the unknown stoichiometry of a LiCoxNiyMnzO2 ternary oxide present in a cathode material mixture of Li-ion batteries is proposed. X-ray diffraction (XRD) and fluorescence (XRF) data were employed in a set of linear equations established by a rational analysis based on the relative weights and concentrations of the compounds and elements present in the mixture. The method was validated on a previously prepared LiCo0.22Ni0.51Mn0.27O2 and LiCoO2 mixture (in a 4:1 mass ratio) and applied to three other mixtures composed of a LiCoxNiyMnzO2 and Co and Mn Li-mono oxides. Measured X-ray diffraction patterns, simulated by Rietveld refinements, and crystallographic parameters are provided in detail for all mixtures. The method's applicability to other mixtures than the Li-ternary and Li-mono oxides here presented are suggested, showing its enlarged scope.

KW - Cathode material

KW - Li-ion battery

KW - Mixtures

KW - Rational analysis

KW - Stoichiometry

KW - XRD and XRF

UR - https://www.scopus.com/pages/publications/85106325410

U2 - 10.1016/j.jallcom.2021.160230

DO - 10.1016/j.jallcom.2021.160230

M3 - Article

AN - SCOPUS:85106325410

SN - 0925-8388

VL - 877

JO - Journal of Alloys and Compounds

JF - Journal of Alloys and Compounds

M1 - 160230

ER -

Rational analysis applied to calculate the unknown stoichiometry of Li-ternary oxides blended to Li-mono oxides in cathode material mixtures

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

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