Effect of chemical oxidation of spinel-type LiNi0.5Mn1.3Ti0.2O4 by soaking in HNO3, HCl and H2SO4

Kenjiro Fujimoto; Yuki Kitajima; Akihisa Aimi

doi:10.1016/j.jssc.2021.122366

Effect of chemical oxidation of spinel-type LiNi_0.5Mn_1.3Ti_0.2O₄ by soaking in HNO₃, HCl and H₂SO₄

Kenjiro Fujimoto, Yuki Kitajima, Akihisa Aimi

Department of Pure and Applied Chemistry

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

2 Citations (Scopus)

Abstract

A new chemical oxidation method was proposed to mimic the crystalline structure change of cathode materials during charge-discharge process by chemical treatment as an efficient experimental data collection method for exploring cathode materials for lithium batteries by informatics such as machine learning. LiNi_0.5Mn_1.3Ti_0.2O₄ prepared by the solid-state reaction method was soaked in 2 mol/L HNO₃ for 10 days, and the chemical delithiation about 53% was confirmed. Furthermore, from the information obtained by synchrotron XRD and XAFS measurements, it could be predicted that the chemical oxidation reaction was accompanied by delithiation. In HCl and H₂SO₄, which are different acids, the lattice parameter decreased with decreasing Li composition as in the case of HNO₃. However, from the value of the metal-oxygen octahedral volume calculated from the crystal data obtained by structure refinement, it was concluded that the Li⁺ to H⁺ ion-exchange reaction rather than the oxidation reaction proceeded in HCl.

Original language	English
Article number	122366
Journal	Journal of Solid State Chemistry
Volume	302
DOIs	https://doi.org/10.1016/j.jssc.2021.122366
Publication status	Published - Oct 2021

Keywords

Acid treatment
Cathode materials
Chemical oxidation
Lithium ion battery
Spinel-type structure

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10.1016/j.jssc.2021.122366

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@article{4d5ae685435a4de9b81d77313a403d22,

title = "Effect of chemical oxidation of spinel-type LiNi0.5Mn1.3Ti0.2O4 by soaking in HNO3, HCl and H2SO4",

abstract = "A new chemical oxidation method was proposed to mimic the crystalline structure change of cathode materials during charge-discharge process by chemical treatment as an efficient experimental data collection method for exploring cathode materials for lithium batteries by informatics such as machine learning. LiNi0.5Mn1.3Ti0.2O4 prepared by the solid-state reaction method was soaked in 2 mol/L HNO3 for 10 days, and the chemical delithiation about 53% was confirmed. Furthermore, from the information obtained by synchrotron XRD and XAFS measurements, it could be predicted that the chemical oxidation reaction was accompanied by delithiation. In HCl and H2SO4, which are different acids, the lattice parameter decreased with decreasing Li composition as in the case of HNO3. However, from the value of the metal-oxygen octahedral volume calculated from the crystal data obtained by structure refinement, it was concluded that the Li+ to H+ ion-exchange reaction rather than the oxidation reaction proceeded in HCl.",

keywords = "Acid treatment, Cathode materials, Chemical oxidation, Lithium ion battery, Spinel-type structure",

author = "Kenjiro Fujimoto and Yuki Kitajima and Akihisa Aimi",

note = "Funding Information: The Synchrotron XRD and XAFS experiments were conducted at the BL5S1 and BL5S2 of Aichi Synchrotron Radiation Center, Aichi Science & Technology Foundation, Aichi, Japan (Approval No. 202003033, 202003034, 202005005, 202005006). This research is partially supported by “Knowledge Hub Aichi”, Priority Research Project from Aichi Prefectural Government . Funding Information: The Synchrotron XRD and XAFS experiments were conducted at the BL5S1 and BL5S2 of Aichi Synchrotron Radiation Center, Aichi Science & Technology Foundation, Aichi, Japan (Approval No. 202003033, 202003034, 202005005, 202005006). This research is partially supported by ?Knowledge Hub Aichi?, Priority Research Project from Aichi Prefectural Government. Publisher Copyright: {\textcopyright} 2021 Elsevier Inc.",

year = "2021",

month = oct,

doi = "10.1016/j.jssc.2021.122366",

language = "English",

volume = "302",

journal = "Journal of Solid State Chemistry",

issn = "0022-4596",

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T1 - Effect of chemical oxidation of spinel-type LiNi0.5Mn1.3Ti0.2O4 by soaking in HNO3, HCl and H2SO4

AU - Fujimoto, Kenjiro

AU - Kitajima, Yuki

AU - Aimi, Akihisa

N1 - Funding Information: The Synchrotron XRD and XAFS experiments were conducted at the BL5S1 and BL5S2 of Aichi Synchrotron Radiation Center, Aichi Science & Technology Foundation, Aichi, Japan (Approval No. 202003033, 202003034, 202005005, 202005006). This research is partially supported by “Knowledge Hub Aichi”, Priority Research Project from Aichi Prefectural Government . Funding Information: The Synchrotron XRD and XAFS experiments were conducted at the BL5S1 and BL5S2 of Aichi Synchrotron Radiation Center, Aichi Science & Technology Foundation, Aichi, Japan (Approval No. 202003033, 202003034, 202005005, 202005006). This research is partially supported by ?Knowledge Hub Aichi?, Priority Research Project from Aichi Prefectural Government. Publisher Copyright: © 2021 Elsevier Inc.

PY - 2021/10

Y1 - 2021/10

N2 - A new chemical oxidation method was proposed to mimic the crystalline structure change of cathode materials during charge-discharge process by chemical treatment as an efficient experimental data collection method for exploring cathode materials for lithium batteries by informatics such as machine learning. LiNi0.5Mn1.3Ti0.2O4 prepared by the solid-state reaction method was soaked in 2 mol/L HNO3 for 10 days, and the chemical delithiation about 53% was confirmed. Furthermore, from the information obtained by synchrotron XRD and XAFS measurements, it could be predicted that the chemical oxidation reaction was accompanied by delithiation. In HCl and H2SO4, which are different acids, the lattice parameter decreased with decreasing Li composition as in the case of HNO3. However, from the value of the metal-oxygen octahedral volume calculated from the crystal data obtained by structure refinement, it was concluded that the Li+ to H+ ion-exchange reaction rather than the oxidation reaction proceeded in HCl.

AB - A new chemical oxidation method was proposed to mimic the crystalline structure change of cathode materials during charge-discharge process by chemical treatment as an efficient experimental data collection method for exploring cathode materials for lithium batteries by informatics such as machine learning. LiNi0.5Mn1.3Ti0.2O4 prepared by the solid-state reaction method was soaked in 2 mol/L HNO3 for 10 days, and the chemical delithiation about 53% was confirmed. Furthermore, from the information obtained by synchrotron XRD and XAFS measurements, it could be predicted that the chemical oxidation reaction was accompanied by delithiation. In HCl and H2SO4, which are different acids, the lattice parameter decreased with decreasing Li composition as in the case of HNO3. However, from the value of the metal-oxygen octahedral volume calculated from the crystal data obtained by structure refinement, it was concluded that the Li+ to H+ ion-exchange reaction rather than the oxidation reaction proceeded in HCl.

KW - Acid treatment

KW - Cathode materials

KW - Chemical oxidation

KW - Lithium ion battery

KW - Spinel-type structure

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DO - 10.1016/j.jssc.2021.122366

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AN - SCOPUS:85109424986

SN - 0022-4596

VL - 302

JO - Journal of Solid State Chemistry

JF - Journal of Solid State Chemistry

M1 - 122366

ER -

Effect of chemical oxidation of spinel-type LiNi_0.5Mn_1.3Ti_0.2O₄ by soaking in HNO₃, HCl and H₂SO₄

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