التفاصيل البيبلوغرافية
| العنوان: |
Validating the Electronic Structure of Vanadium Phosphate Cathode Materials |
| المؤلفون: |
Jenkins, Tristram, Alarco, Jose, Cowie, Bruce C.C., Mackinnon, Ian |
| المصدر: |
ACS Applied Materials and Interfaces |
| بيانات النشر: |
American Chemical Society |
| سنة النشر: |
2021 |
| المجموعة: |
Queensland University of Technology: QUT ePrints |
| الوصف: |
Investigation of the electronic structure of contending battery electrode materials is an essential step for developing a detailed mechanistic understanding of charge–discharge properties. Herein, we use synchrotron soft X-ray absorption spectroscopy (XAS) in combination with complementary experiments and density functional theory calculations to map the electronic structure, band positioning, and band gap of prototype vanadium(III) phosphate cathode materials, Na 3 V 2 (PO 4 ) 3 , Li 3 V 2 (PO 4 ) 3 , and K 3 V 3 (PO 4 ) 4 ·H 2 O, for alkali-ion rechargeable batteries. XAS fluorescence yield and electron yield measurements reveal substantial variation in surface-to-bulk atomic structure, vanadium oxidation states, and density of oxygen hole states across all samples. We attribute this variation to an intrinsic alkali metal surface depletion identified across these alkali metal vanadium(III) phosphates. We propose that an alkali-depleted surface provides a beneficial interface with the bulk structure(s) that raises the Fermi level and improves surface charge transfer kinetics. Furthermore, we discuss how this effect can play a significant role in reducing the electronic and ionic diffusion limitations of alkali vanadium phosphates in alkali-ion rechargeable batteries. These findings clarify the electronic structure and properties of alkali metal vanadium phosphates and offer guidance on future strategies to improve vanadium phosphate battery performance. |
| نوع الوثيقة: |
article in journal/newspaper |
| وصف الملف: |
application/pdf |
| اللغة: |
unknown |
| Relation: |
https://eprints.qut.edu.au/213602/1/Validating_the_Electronic_Structure_of_Vanadium_Phosphates_Submitted_Version.pdf; Jenkins, Tristram, Alarco, Jose, Cowie, Bruce C.C., & Mackinnon, Ian (2021) Validating the Electronic Structure of Vanadium Phosphate Cathode Materials. ACS Applied Materials and Interfaces, 13(38), pp. 45505-45520.; https://eprints.qut.edu.au/213602/; Centre for Materials Science; Centre for Clean Energy Technologies & Practices; Faculty of Science; School of Chemistry & Physics; School of Earth & Atmospheric Sciences |
| الاتاحة: |
https://eprints.qut.edu.au/213602/ |
| Rights: |
free_to_read ; http://creativecommons.org/licenses/by-nc/4.0/ ; 2021 American Chemical Society ; This work is covered by copyright. Unless the document is being made available under a Creative Commons Licence, you must assume that re-use is limited to personal use and that permission from the copyright owner must be obtained for all other uses. If the document is available under a Creative Commons License (or other specified license) then refer to the Licence for details of permitted re-use. It is a condition of access that users recognise and abide by the legal requirements associated with these rights. If you believe that this work infringes copyright please provide details by email to qut.copyright@qut.edu.au |
| رقم الانضمام: |
edsbas.9D0CF80A |
| قاعدة البيانات: |
BASE |