Thermo-chemical environment-dependent vacancy formation in Fe2WO6: A DFT study
Fe2WO6, known for its potential in photocatalytic and electrocatalytic applications due to its chemical stability and band structure, can exhibit various defects that influence its performance. Density functional theory (DFT) calculations were employed to determine the formation energies of iron, tu...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-10-01
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| Series: | Heliyon |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S240584402415445X |