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Stabilization of Battery Cathode Ligand Charge Transfer Based on Non-Equilibrium Electronic Structure Analysis

Description: We focused on the charge compensation of anions, not transition metal cations, for lithium-rich oxide cathode materials in which charge compensation of oxide ions occurs during insertion and deinsertion of lithium ions. We established a guideline for the design of materials by controlling anions. We found that oxide ions can contribute reversibly to charge compensation when either the covalent or ionic bonding between transition metal cations and oxide ions is extremely strong. Based on these results, in the field of lithium-rich materials, which have been researched and developed mainly with oxides in the past, high capacity was achieved by replacing some of the oxide ions with nitride ions.
Amount: ¥43,030,000
Funding type: research
Funder scheme: Grant-in-Aid for Scientific Research (A)
Start date: 2018-04-01
End date: 2022-03-31
Institution: Kyoto University
Funded outputs count: 9
Funder award ID: 18H03929
OpenAlex ID: G29946151
2021 · Kosuke Suzuki, Yuji Otsuka, et al. · Condensed Matter · 9
2021 · Hasnain Hafiz, Kosuke Suzuki, et al. · Nature · 98
2020 · Masatsugu Oishi, Keiji Shimoda, et al. · The Journal of Physical Chemistry C · 10
2020 · Masatsugu Oishi, Keiji Shimoda, et al. · Materials Today Communications · 8
2020 · Aruto Watanabe, Kentaro Yamamoto, et al. · ACS Applied Energy Materials · 27
2019 · Aruto Watanabe, Toshiyuki Matsunaga, et al. · Journal of Alloys and Compounds · 11