Theoretical investigation of the two-dimensional V2C2/V2C2F2 as prospective host materials for Li- and Na-ion batteries
Density functional theory calculations were employed to investigate the adsorption properties of Li and Na on the thermodynamically stable two-dimensional (2D) tetragonal vanadium carbide 3 × 3 V2C2 slab. The optimized structures of Lix@2D-V2C2 (x = 1–36) and Nax@2D-V2C2 (x = 1–32) were identified....
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| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2025-05-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0266541 |
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