Exploring Quantum Capacitance and Adsorption Energy of Alkali Metal on NiO Using First‐Principles DFT Calculations
ABSTRACT This study presents an analysis of the structural, electronic, and surface properties of NiO using first‐principles density functional theory (DFT) calculations. The investigation focuses on three lattice parameters (a = 4.23 Å, 4.187 Å, and 4.183 Å) to explore how lattice strain influences...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Wiley
2025-05-01
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| Series: | Electron |
| Subjects: | |
| Online Access: | https://doi.org/10.1002/elt2.70006 |
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