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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Bibliographic Details
Main Authors: Eman F. Shams, Hammed H. A. M. Hassan, Abdul-Hamid Emwas, Mariusz Jaremko, Mohan L. Verma, Morsy Abu-Youssef
Format: Article
Language:English
Published: Springer 2025-08-01
Series:Discover Materials
Online Access:https://doi.org/10.1007/s43939-025-00328-1
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