Ab Initio Study of the Energetics, Electronic Properties, and Chlorine Migration Behavior of B2-FeAl (110) Surface by Microalloying
Ab initio methods based on DFT are utilized to study the formation energy, adsorption energy, and electronic properties of pure and X-doped (X = Mo, Ti, Ni) B2-FeAl (110) surface configurations. The effect of microalloying element doping on the corrosion resistance of B2-FeAl coating to molten chlor...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2024-12-01
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| Series: | Crystals |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4352/15/1/46 |
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