A First-Principles Study of Hydrogen Desorption from High Entropy Alloy TiZrVMoNb Hydride Surface

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...

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Bibliographic Details
Main Authors: Jinjing Zhang, Jutao Hu, Haiyan Xiao, Huahai Shen, Lei Xie, Guangai Sun, Xiaotao Zu
Format: Article
Language:English
Published: MDPI AG 2021-03-01
Series:Metals
Subjects:
first-principles calculations
high entropy alloys
hydrogen desorption
surface
Online Access:https://www.mdpi.com/2075-4701/11/4/553

Internet

https://www.mdpi.com/2075-4701/11/4/553

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