Vacancy Formation and Clustering Behavior in <i>δ</i>-MoN: A Systematic Density Functional Theory Study
Molybdenum nitrides are known to have a series of excellent physical properties owing to their unique bonding nature and electronic structure. However, the synthesized samples often exist in nonstoichiometric phases with structural defects (metal or non-metal vacancies), which may influence their pe...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2025-05-01
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| Series: | Nanomaterials |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2079-4991/15/11/810 |
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