A First-Principles Study of Hydrogen Desorption from High Entropy Alloy TiZrVMoNb Hydride Surface
The desorption behaviors of hydrogen from high entropy alloy TiZrVMoNb hydride surface have been investigated using the density functional theory. The (110) surface has been determined to be the most preferable surface for hydrogen desorption from TiZrVMoNb hydride. Due to the high lattice distortio...
Main Authors: | , , , , , , |
---|---|
Format: | Article |
Language: | English |
Published: |
MDPI AG
2021-03-01
|
Series: | Metals |
Subjects: | |
Online Access: | https://www.mdpi.com/2075-4701/11/4/553 |