Validating the Electronic Structure of Vanadium Phosphate Cathode Materials
نویسندگان
چکیده
Investigation of the electronic structure contending battery electrode materials is an essential step for developing a detailed mechanistic understanding 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 structure, band positioning, gap prototype vanadium(III) phosphate cathode materials, Na3V2(PO4)3, Li3V2(PO4)3, K3V3(PO4)4·H2O, alkali-ion rechargeable batteries. XAS fluorescence yield electron measurements reveal substantial variation surface-to-bulk atomic vanadium oxidation states, oxygen hole states across all samples. We attribute this intrinsic alkali metal surface depletion identified these phosphates. propose that alkali-depleted provides beneficial interface bulk structure(s) raises Fermi level improves charge transfer kinetics. Furthermore, discuss how effect can play significant role reducing ionic diffusion limitations phosphates These findings clarify properties offer guidance on future strategies improve performance.
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ژورنال
عنوان ژورنال: ACS Applied Materials & Interfaces
سال: 2021
ISSN: ['1944-8244', '1944-8252']
DOI: https://doi.org/10.1021/acsami.1c12447