Cathode Properties, Average and Electronic Structures of αLi2MnO3–(1 − α)Li(Mn10/24Ni7/24Co7/24)O2 in Li-ion Batteries with TiNb2O7 Anode

In this study, the cathode properties of αLi2MnO3–(1 − α)Li(Mn10/24Ni7/24Co7/24)O2 (α = 0.5, 0.4) with Li metal and TiNb2O7 (TNO) as the negative electrode and the average and electronic structures after five charge–discharge cycles were investigated using neutron diffraction and synchrotron X-ray d...

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Main Authors: Yasushi IDEMOTO, Takuma AIDA, Chiaki ISHIBASHI, Naoto KITAMURA, Yasuhiro HARADA, Norio TAKAMI
Format: Article
Language:English
Published: The Electrochemical Society of Japan 2025-06-01
Series:Electrochemistry
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Online Access:https://www.jstage.jst.go.jp/article/electrochemistry/93/6/93_25-71032/_html/-char/en
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author Yasushi IDEMOTO
Takuma AIDA
Chiaki ISHIBASHI
Naoto KITAMURA
Yasuhiro HARADA
Norio TAKAMI
author_facet Yasushi IDEMOTO
Takuma AIDA
Chiaki ISHIBASHI
Naoto KITAMURA
Yasuhiro HARADA
Norio TAKAMI
author_sort Yasushi IDEMOTO
collection DOAJ
description In this study, the cathode properties of αLi2MnO3–(1 − α)Li(Mn10/24Ni7/24Co7/24)O2 (α = 0.5, 0.4) with Li metal and TiNb2O7 (TNO) as the negative electrode and the average and electronic structures after five charge–discharge cycles were investigated using neutron diffraction and synchrotron X-ray diffraction data. Charge–discharge tests of αLi2MnO3–(1 − α)Li(Mn10/24Ni7/24Co7/24)O2 (α = 0.5, 0.4)//Li and TNO were conducted at 0.1C, and a capacity of ∼200 mAh g−1 was obtained in the range between 2.0 V and 4.8 V vs. Li/Li+ for the cell with Li. By contrast, a capacity of ∼180 mAh g−1 was obtained in the range between 0 V and 3.3 V for the cell with TNO, and the capacity increased with each cycle for approximately 15 cycles. To clarify the cause of the change in electrode characteristics, electrodes in a 5-cycle charge–discharge state were fabricated and the average structure was investigated by Rietveld analysis using neutron diffraction and synchrotron X-ray diffraction. The results of the average structure analysis showed that the transition metal migrates to the transition-metal site and that the distortion parameter for the MO6 octahedron is high after the five-cycle charge. In addition, from an electron density analysis, in αLi2MnO3–(1 − α)Li(Mn10/24Ni7/24Co7/24)O2 (α = 0.4)//Li, which showed excellent positive electrode characteristics, the difference in electron density between the pristine and charged/discharged conditions was small at the 2b site. These results indicate that the crystal structure changes between charging and discharging depending on the anode, which affects the battery properties.
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spelling doaj-art-a6507c26ffd441b6933af0b4b89cfc1d2025-08-20T02:10:25ZengThe Electrochemical Society of JapanElectrochemistry2186-24512025-06-0193606300506300510.5796/electrochemistry.25-71032electrochemistryCathode Properties, Average and Electronic Structures of αLi2MnO3–(1 − α)Li(Mn10/24Ni7/24Co7/24)O2 in Li-ion Batteries with TiNb2O7 AnodeYasushi IDEMOTO0https://orcid.org/0000-0003-3832-2139Takuma AIDA1Chiaki ISHIBASHI2https://orcid.org/0000-0003-2778-0978Naoto KITAMURA3https://orcid.org/0000-0002-1940-4609Yasuhiro HARADA4Norio TAKAMI5https://orcid.org/0000-0001-8818-7866Faculty of Science & Technology, Tokyo University of ScienceFaculty of Science & Technology, Tokyo University of ScienceFaculty of Science & Technology, Tokyo University of ScienceFaculty of Science & Technology, Tokyo University of ScienceCorporate Research and Development Center, Toshiba CorporationCorporate Research and Development Center, Toshiba CorporationIn this study, the cathode properties of αLi2MnO3–(1 − α)Li(Mn10/24Ni7/24Co7/24)O2 (α = 0.5, 0.4) with Li metal and TiNb2O7 (TNO) as the negative electrode and the average and electronic structures after five charge–discharge cycles were investigated using neutron diffraction and synchrotron X-ray diffraction data. Charge–discharge tests of αLi2MnO3–(1 − α)Li(Mn10/24Ni7/24Co7/24)O2 (α = 0.5, 0.4)//Li and TNO were conducted at 0.1C, and a capacity of ∼200 mAh g−1 was obtained in the range between 2.0 V and 4.8 V vs. Li/Li+ for the cell with Li. By contrast, a capacity of ∼180 mAh g−1 was obtained in the range between 0 V and 3.3 V for the cell with TNO, and the capacity increased with each cycle for approximately 15 cycles. To clarify the cause of the change in electrode characteristics, electrodes in a 5-cycle charge–discharge state were fabricated and the average structure was investigated by Rietveld analysis using neutron diffraction and synchrotron X-ray diffraction. The results of the average structure analysis showed that the transition metal migrates to the transition-metal site and that the distortion parameter for the MO6 octahedron is high after the five-cycle charge. In addition, from an electron density analysis, in αLi2MnO3–(1 − α)Li(Mn10/24Ni7/24Co7/24)O2 (α = 0.4)//Li, which showed excellent positive electrode characteristics, the difference in electron density between the pristine and charged/discharged conditions was small at the 2b site. These results indicate that the crystal structure changes between charging and discharging depending on the anode, which affects the battery properties.https://www.jstage.jst.go.jp/article/electrochemistry/93/6/93_25-71032/_html/-char/enlithium ion batterycathode materialanode materialaverage structure
spellingShingle Yasushi IDEMOTO
Takuma AIDA
Chiaki ISHIBASHI
Naoto KITAMURA
Yasuhiro HARADA
Norio TAKAMI
Cathode Properties, Average and Electronic Structures of αLi2MnO3–(1 − α)Li(Mn10/24Ni7/24Co7/24)O2 in Li-ion Batteries with TiNb2O7 Anode
Electrochemistry
lithium ion battery
cathode material
anode material
average structure
title Cathode Properties, Average and Electronic Structures of αLi2MnO3–(1 − α)Li(Mn10/24Ni7/24Co7/24)O2 in Li-ion Batteries with TiNb2O7 Anode
title_full Cathode Properties, Average and Electronic Structures of αLi2MnO3–(1 − α)Li(Mn10/24Ni7/24Co7/24)O2 in Li-ion Batteries with TiNb2O7 Anode
title_fullStr Cathode Properties, Average and Electronic Structures of αLi2MnO3–(1 − α)Li(Mn10/24Ni7/24Co7/24)O2 in Li-ion Batteries with TiNb2O7 Anode
title_full_unstemmed Cathode Properties, Average and Electronic Structures of αLi2MnO3–(1 − α)Li(Mn10/24Ni7/24Co7/24)O2 in Li-ion Batteries with TiNb2O7 Anode
title_short Cathode Properties, Average and Electronic Structures of αLi2MnO3–(1 − α)Li(Mn10/24Ni7/24Co7/24)O2 in Li-ion Batteries with TiNb2O7 Anode
title_sort cathode properties average and electronic structures of αli2mno3 1 α li mn10 24ni7 24co7 24 o2 in li ion batteries with tinb2o7 anode
topic lithium ion battery
cathode material
anode material
average structure
url https://www.jstage.jst.go.jp/article/electrochemistry/93/6/93_25-71032/_html/-char/en
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