Sodium intercalation in potassium birnessite modifies structural stability, vibrational modes, ion diffusion barriers, and electronic structure, with some compositions showing bipolar magnetic semiconductor behavior controllable by ion content.
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How Does Intercalation Reshape Layered Structures? A First-Principles Study of Sodium Insertion in Layered Potassium Birnessite
Sodium intercalation in potassium birnessite modifies structural stability, vibrational modes, ion diffusion barriers, and electronic structure, with some compositions showing bipolar magnetic semiconductor behavior controllable by ion content.