{"title":"Investigation of first-cycle voltage hysteresis in Li-rich cathode materials by magnetic Compton scattering experiments.","authors":"Aierxiding Abulikemu, Tomoya Ando, Naruki Tsuji, Kosuke Suzuki, Manabu Takahashi, Tsuyoshi Takami, Hiroshi Sakurai","doi":"10.1088/1361-648X/adbf5c","DOIUrl":null,"url":null,"abstract":"<p><p>Lithium-rich layered oxides (LLOs) are among the most promising cathode materials for next-generation lithium-ion batteries featuring reversible capacities of 250 mAh g<sup>-1</sup>or higher. However, LLOs suffer from severe voltage hysteresis during the charge/discharge process. In this work, we utilized magnetic Compton scattering spectroscopy to characterize the electronic states of the typical LLO Li<sub>1.2-<i>x</i></sub>Ni<sub>0.2</sub>Mn<sub>0.6</sub>O<sub>2</sub>and extract the redox orbitals. By comparing the experimental data with the results of density functional theory calculations, we successfully achieved the first direct observation of spin-polarized oxygen 2p state modifications due to superstructural changes, which were found to be responsible for the voltage hysteresis during the charge/discharge process.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":"37 18","pages":""},"PeriodicalIF":2.3000,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Physics: Condensed Matter","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1088/1361-648X/adbf5c","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"PHYSICS, CONDENSED MATTER","Score":null,"Total":0}
引用次数: 0
Abstract
Lithium-rich layered oxides (LLOs) are among the most promising cathode materials for next-generation lithium-ion batteries featuring reversible capacities of 250 mAh g-1or higher. However, LLOs suffer from severe voltage hysteresis during the charge/discharge process. In this work, we utilized magnetic Compton scattering spectroscopy to characterize the electronic states of the typical LLO Li1.2-xNi0.2Mn0.6O2and extract the redox orbitals. By comparing the experimental data with the results of density functional theory calculations, we successfully achieved the first direct observation of spin-polarized oxygen 2p state modifications due to superstructural changes, which were found to be responsible for the voltage hysteresis during the charge/discharge process.
期刊介绍:
Journal of Physics: Condensed Matter covers the whole of condensed matter physics including soft condensed matter and nanostructures. Papers may report experimental, theoretical and simulation studies. Note that papers must contain fundamental condensed matter science: papers reporting methods of materials preparation or properties of materials without novel condensed matter content will not be accepted.