The dance of sodium: de-intercalation voltage in metal-organic frameworks
Abstract The sodium ion de-intercalation voltage in doped metal-organic framework (MOF) UAX-1 [ZnNa(m-BDC)2] (m-BDC = 1,3-benzene-dicarboxylate) was investigated using density functional theory (DFT). The sodium chemical potential in the cathode was employed to accurately calculate the de-intercalat...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Springer
2025-08-01
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| Series: | Discover Materials |
| Online Access: | https://doi.org/10.1007/s43939-025-00328-1 |
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