Voltage estimation of layered cathode materials LiMO2 (M=Al, Mn, Co, Ni, Cu, Zn) for lithium-ion batteries by using Compton profiles
Electronic structures were calculated by CRYSTAL14 code for the layered cathode materials LiMO2 (M=Al, Mn, Co, Ni, Cu, Zn). Mülliken population and Compton profile analysis showed that the redox orbitals are dominated by the O 2p states. The voltages of the redox reaction for LixMO2 were estimated f...
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| Format: | Article |
| Language: | English |
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Elsevier
2025-07-01
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| Series: | Next Energy |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2949821X25000122 |
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| author | Chunxia Gong Hiroshi Sakurai Yosuke Amada Tomoya Ando Manabu Takahashi |
| author_facet | Chunxia Gong Hiroshi Sakurai Yosuke Amada Tomoya Ando Manabu Takahashi |
| author_sort | Chunxia Gong |
| collection | DOAJ |
| description | Electronic structures were calculated by CRYSTAL14 code for the layered cathode materials LiMO2 (M=Al, Mn, Co, Ni, Cu, Zn). Mülliken population and Compton profile analysis showed that the redox orbitals are dominated by the O 2p states. The voltages of the redox reaction for LixMO2 were estimated from the analysis of the calculated Compton profiles. The estimated voltages agreed with the previous report. This study shows that Compton profile measurement can be a new nondestructive testing tool for the measurement of the local voltage in a lithium-ion battery. |
| format | Article |
| id | doaj-art-bf3efce3329c420aaea9b022ca93bb5a |
| institution | DOAJ |
| issn | 2949-821X |
| language | English |
| publishDate | 2025-07-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Next Energy |
| spelling | doaj-art-bf3efce3329c420aaea9b022ca93bb5a2025-08-20T02:43:36ZengElsevierNext Energy2949-821X2025-07-01810024910.1016/j.nxener.2025.100249Voltage estimation of layered cathode materials LiMO2 (M=Al, Mn, Co, Ni, Cu, Zn) for lithium-ion batteries by using Compton profilesChunxia Gong0Hiroshi Sakurai1Yosuke Amada2Tomoya Ando3Manabu Takahashi4Center for Nano Materials and Technology (CNMT), Japan Advanced Institute of Science and Technology (JAIST), 1-1 Asahidai, Nomi, Ishikawa 923-1292, JapanGraduate School of Science and Technology, Gunma University, 1-5-1 Tenjin-cho, Kiryu, Gunma 376-8515, Japan; Corresponding author.Graduate School of Science and Technology, Gunma University, 1-5-1 Tenjin-cho, Kiryu, Gunma 376-8515, JapanGraduate School of Science and Technology, Gunma University, 1-5-1 Tenjin-cho, Kiryu, Gunma 376-8515, JapanGraduate School of Science and Technology, Gunma University, 1-5-1 Tenjin-cho, Kiryu, Gunma 376-8515, JapanElectronic structures were calculated by CRYSTAL14 code for the layered cathode materials LiMO2 (M=Al, Mn, Co, Ni, Cu, Zn). Mülliken population and Compton profile analysis showed that the redox orbitals are dominated by the O 2p states. The voltages of the redox reaction for LixMO2 were estimated from the analysis of the calculated Compton profiles. The estimated voltages agreed with the previous report. This study shows that Compton profile measurement can be a new nondestructive testing tool for the measurement of the local voltage in a lithium-ion battery.http://www.sciencedirect.com/science/article/pii/S2949821X25000122Compton profilesHigh energy X-raysVoltage imagingREDOX reactions |
| spellingShingle | Chunxia Gong Hiroshi Sakurai Yosuke Amada Tomoya Ando Manabu Takahashi Voltage estimation of layered cathode materials LiMO2 (M=Al, Mn, Co, Ni, Cu, Zn) for lithium-ion batteries by using Compton profiles Next Energy Compton profiles High energy X-rays Voltage imaging REDOX reactions |
| title | Voltage estimation of layered cathode materials LiMO2 (M=Al, Mn, Co, Ni, Cu, Zn) for lithium-ion batteries by using Compton profiles |
| title_full | Voltage estimation of layered cathode materials LiMO2 (M=Al, Mn, Co, Ni, Cu, Zn) for lithium-ion batteries by using Compton profiles |
| title_fullStr | Voltage estimation of layered cathode materials LiMO2 (M=Al, Mn, Co, Ni, Cu, Zn) for lithium-ion batteries by using Compton profiles |
| title_full_unstemmed | Voltage estimation of layered cathode materials LiMO2 (M=Al, Mn, Co, Ni, Cu, Zn) for lithium-ion batteries by using Compton profiles |
| title_short | Voltage estimation of layered cathode materials LiMO2 (M=Al, Mn, Co, Ni, Cu, Zn) for lithium-ion batteries by using Compton profiles |
| title_sort | voltage estimation of layered cathode materials limo2 m al mn co ni cu zn for lithium ion batteries by using compton profiles |
| topic | Compton profiles High energy X-rays Voltage imaging REDOX reactions |
| url | http://www.sciencedirect.com/science/article/pii/S2949821X25000122 |
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