التفاصيل البيبلوغرافية
| العنوان: |
Operando Raman and DFT Analysis of (De)lithiation in Fast-Charging, Shear-Phase H-Nb2O5 |
| المؤلفون: |
Li Tongtong, Huang Shengchi, Kane Nicholas, Wang Jeng-Han, Luo Zheyu, Zhang Weilin, Nam Gyutae, Zhao Bote, Qi Yabing, Liu Meilin |
| بيانات النشر: |
American Chemical Society |
| سنة النشر: |
2023 |
| المجموعة: |
OIST Institutional Repository |
| الوصف: |
Niobium-based compounds with Wadsley–Roth crystallographic shear structures show promise as fast lithium storage materials in micrometer sizes without the need for nanostructure engineering. However, the lithium storage mechanism underlying their unique electrochemical properties has yet to be understood. Herein, we characterized the evolution of vibration bands in operando Raman spectra of the representative shear phase, H-Nb2O5, during lithiation in order to correlate the lithiation-induced structural variations of H-Nb2O5 with the electrochemical properties. Complemented by DFT calculations, the lithium storage mechanism was unraveled, including the preference for adsorption sites, the resultant electronic structure, and specific pathways for lithium transport. This work provides insight into the lithium storage mechanism in shear structure Nb2O5, which is believed to be useful for knowledge-based design of niobium-based compounds as high-rate lithium storage materials. ; journal article |
| نوع الوثيقة: |
other/unknown material |
| وصف الملف: |
application/pdf |
| اللغة: |
English |
| تدمد: |
2380-8195 |
| العلاقة: |
https://creativecommons.org/licenses/by/4.0Test/; ACS Energy Letters; 3131; 3140; https://oist.repo.nii.ac.jp/record/2000200/files/Li-2023-OperandoTest Raman and DFT Analysis of (De)lithiation in Fast-Charging, Shear-Phase H-Nb2O5.pdf |
| الإتاحة: |
https://oist.repo.nii.ac.jp/record/2000200/files/Li-2023-OperandoTest Raman and DFT Analysis of (De)lithiation in Fast-Charging, Shear-Phase H-Nb2O5.pdf |
| حقوق: |
© 2023 The Authors. ; open access |
| رقم الانضمام: |
edsbas.50BC7291 |
| قاعدة البيانات: |
BASE |
